3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C13H14N2O2 — CID 670706

IUPAC3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C)c(C)c2)no1
InChIInChI=1S/C13H14N2O2/c1-8-4-5-11(6-9(8)2)13(16)14-12-7-10(3)17-15-12/h4-7H,1-3H3,(H,14,15,16)
InChIKeyNFPIFLXQEXEJRI-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.85
Rot. Bonds2

About 3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide

3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 670706) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID670706
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C)c(C)c2)no1
InChIInChI=1S/C13H14N2O2/c1-8-4-5-11(6-9(8)2)13(16)14-12-7-10(3)17-15-12/h4-7H,1-3H3,(H,14,15,16)
InChIKeyNFPIFLXQEXEJRI-UHFFFAOYSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Soretolide
CID 198730
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)-2-naphthamide
CID 11339372
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)benzamide
CID 11485752
4-tert-butyl-N-(5-methyl-3-isoxazolyl)benzamide
CID 670749
Benzamide, N-(5-methyl-3-isoxazolyl)-
CID 569560
2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6467231
3-(5-Methyl-1,2-oxazol-3-YL)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 20924386
N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide
CID 739602
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 884750
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide
CID 889538
4-[(cyclopropylcarbonyl)amino]-N-(5-methyl-3-isoxazolyl)benzamide
CID 934489

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 670706) is 3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(C)c(C)c2)no1.
What is the InChIKey of 3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is NFPIFLXQEXEJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-4-5-11(6-9(8)2)13(16)14-12-7-10(3)17-15-12/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 230.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 670706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).