methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate

C20H18N2O4 — CID 36930577

IUPACmethyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)c(C)c1
InChIInChI=1S/C20H18N2O4/c1-12-11-15(20(24)25-3)9-10-16(12)21-19(23)17-13(2)26-22-18(17)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,21,23)
InChIKeyJEKXJETYFRBGOB-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.00
Rot. Bonds4

About methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate

methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate (PubChem CID 36930577) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
PubChem CID36930577
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)c(C)c1
InChIInChI=1S/C20H18N2O4/c1-12-11-15(20(24)25-3)9-10-16(12)21-19(23)17-13(2)26-22-18(17)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,21,23)
InChIKeyJEKXJETYFRBGOB-UHFFFAOYSA-N
XLogP4.00
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4035608
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070999
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987
4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid
CID 175525447
N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2649068
3-(3-chlorophenyl)-5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 50805635
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
N-(2-methoxy-6-pyridin-4-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108834
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
3-(2-chlorophenyl)-N-[4-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-methylphenyl]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4521302
N-(3-chloro-2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26897303

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate (CID 36930577) is methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The InChIKey is JEKXJETYFRBGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-11-15(20(24)25-3)9-10-16(12)21-19(23)17-13(2)26-22-18(17)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,21,23).
What are the key properties of methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate?
methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate has a molecular weight of 350.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 36930577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).