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

C14H14N2O4 — CID 79479514

IUPACmethyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1ocnc1C
InChIInChI=1S/C14H14N2O4/c1-8-4-5-11(10(6-8)14(18)19-3)16-13(17)12-9(2)15-7-20-12/h4-7H,1-3H3,(H,16,17)
InChIKeyFJJYCKOJBADFPO-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.33
Rot. Bonds3

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

methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate (PubChem CID 79479514) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate
PubChem CID79479514
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1ocnc1C
InChIInChI=1S/C14H14N2O4/c1-8-4-5-11(10(6-8)14(18)19-3)16-13(17)12-9(2)15-7-20-12/h4-7H,1-3H3,(H,16,17)
InChIKeyFJJYCKOJBADFPO-UHFFFAOYSA-N
XLogP2.33
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate
CID 106685894
methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822092
methyl 2-[(5-hydroxypyridine-3-carbonyl)amino]-5-methylbenzoate
CID 63849862
methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate
CID 62794085
methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate
CID 122136744
methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103859709
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 82766354
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103097724
methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
CID 66484487
methyl 2-[(4-propan-2-yl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 110685093
methyl 5-methyl-2-(prop-2-enoylamino)benzoate
CID 43623759
methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate
CID 79151802

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate (CID 79479514) is methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate is COC(=O)c1cc(C)ccc1NC(=O)c1ocnc1C.
What is the InChIKey of methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate?
The InChIKey is FJJYCKOJBADFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-4-5-11(10(6-8)14(18)19-3)16-13(17)12-9(2)15-7-20-12/h4-7H,1-3H3,(H,16,17).
What are the key properties of methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate?
methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate has a molecular weight of 274.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 79479514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).