[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone

C16H14N2O3 — CID 141166162

IUPAC[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone
SMILESCOc1ccc(-c2noc(C)c2C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C16H14N2O3/c1-10-14(16(19)12-7-8-17-9-12)15(18-21-10)11-3-5-13(20-2)6-4-11/h3-9,17H,1-2H3
InChIKeyQBNURGQZFIAJCS-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.22
Rot. Bonds4

About [3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone

[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 141166162) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID141166162
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone
SMILESCOc1ccc(-c2noc(C)c2C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C16H14N2O3/c1-10-14(16(19)12-7-8-17-9-12)15(18-21-10)11-3-5-13(20-2)6-4-11/h3-9,17H,1-2H3
InChIKeyQBNURGQZFIAJCS-UHFFFAOYSA-N
XLogP3.22
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone 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

3-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805521
bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 174684949
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-prop-2-ynyl-1H-pyrrole-2-carboxamide
CID 89227015
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35997682
[carbamoyl(methylsulfanyl)carbamoyl] 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 87816012
cyclopropylmethyl 1-carbamoyl-4-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl]pyrrole-2-carboxylate
CID 57466746
3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole
CID 68883545
3-(4-methoxyphenyl)-5-methyl-4-nitro-1,2-oxazole
CID 154708659
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 162801131
1-[4-[3-(4-bromophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-pyrrol-2-yl]ethanone
CID 143434093

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone (CID 141166162) is [3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone is COc1ccc(-c2noc(C)c2C(=O)c2cc[nH]c2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is QBNURGQZFIAJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10-14(16(19)12-7-8-17-9-12)15(18-21-10)11-3-5-13(20-2)6-4-11/h3-9,17H,1-2H3.
What are the key properties of [3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone?
[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 282.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 141166162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).