(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone

C15H12N2O2 — CID 2803917

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone
SMILESCc1onc(-c2ccccc2)c1C(=O)n1cccc1
InChIInChI=1S/C15H12N2O2/c1-11-13(15(18)17-9-5-6-10-17)14(16-19-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyDMDXFTXPBFZQBR-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.14
Rot. Bonds2

About (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone (PubChem CID 2803917) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone
PubChem CID2803917
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone
SMILESCc1onc(-c2ccccc2)c1C(=O)n1cccc1
InChIInChI=1S/C15H12N2O2/c1-11-13(15(18)17-9-5-6-10-17)14(16-19-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyDMDXFTXPBFZQBR-UHFFFAOYSA-N
XLogP3.14
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 5129232
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 700898
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 110878380
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027
(3,4-difluorophenyl)-[4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]methanone
CID 46413276
N,N-dimethyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 78779333
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 138806639
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 47021336
[4-(2-chloropent-2-en-3-yl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 123942649
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone (CID 2803917) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone is Cc1onc(-c2ccccc2)c1C(=O)n1cccc1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone?
The InChIKey is DMDXFTXPBFZQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-11-13(15(18)17-9-5-6-10-17)14(16-19-11)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone has a molecular weight of 252.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone is sourced from PubChem (CID 2803917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).