289630-30-4
N-(3,4-DIMETHYLPHENYL)-3,5-DIMETHYL-4-ISOXAZOLECARBOXAMIDE
NameN-(3,4-DIMETHYLPHENYL)-3,5-DIMETHYL-4-ISOXAZOLECARBOXAMIDE
1Identification
【Name】
N-(3,4-DIMETHYLPHENYL)-3,5-DIMETHYL-4-ISOXAZOLECARBOXAMIDE
【CAS】
【MDL】
MFCD00794402
【English Synonyms】
【Formula】
C14 H16 N2 O2
【MolWeight】
244.292
【Inchi】
InChI=1S/C14H16N2O2/c1-8-5-6-12(7-9(8)2)15-14(17)13-10(3)16-18-11(13)4/h5-7H,1-4H3,(H,15,17)
【InChIKey】
InChIKey=DEHCNLQFKYNFFY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)NC(=O)c2c(noc2C)C
【MOL File】
N-(3,4-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3,4-DIMETHYLPHENYL)-3,5-DIMETHYL-4-ISOXAZOLECARBOXAMIDE.cml