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

C19H16N2O4 — CID 2287619

IUPACmethyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C19H16N2O4/c1-12-16(17(21-25-12)13-6-4-3-5-7-13)18(22)20-15-10-8-14(9-11-15)19(23)24-2/h3-11H,1-2H3,(H,20,22)
InChIKeyHRSBCPZNUCHXON-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.69
Rot. Bonds4

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

methyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate (PubChem CID 2287619) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
PubChem CID2287619
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Namemethyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C19H16N2O4/c1-12-16(17(21-25-12)13-6-4-3-5-7-13)18(22)20-15-10-8-14(9-11-15)19(23)24-2/h3-11H,1-2H3,(H,20,22)
InChIKeyHRSBCPZNUCHXON-UHFFFAOYSA-N
XLogP3.69
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
(5-phenyl-1,2-oxazol-3-yl)methyl N-(4-methylphenyl)carbamate
CID 1481096
4-(Dimethylamino)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
CID 2078139
[2-(4-Carbamoylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2570326
N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 741138
N-(4-isopropoxyphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 975586
5-Methyl-3-(2-nitro-phenyl)-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
CID 11531313
N-(2,4-Difluoro-phenyl)-2-(3-dodecyl-isoxazol-5-yl)-2-phenyl-acetamide
CID 18955387
N-[4-(4-aminophenyl)phenyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 132060056
(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]phenyl]icosa-5,8,11,14-tetraenamide
CID 132075240
N-(4-aminophenyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 132075241

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate (CID 2287619) is methyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of methyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The InChIKey is HRSBCPZNUCHXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12-16(17(21-25-12)13-6-4-3-5-7-13)18(22)20-15-10-8-14(9-11-15)19(23)24-2/h3-11H,1-2H3,(H,20,22).
What are the key properties of methyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate?
methyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate has a molecular weight of 336.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 2287619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).