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5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide

C21H18N4O2 — CID 60557129

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1cccc(-c2nccn2C)c1
InChIInChI=1S/C21H18N4O2/c1-14-18(19(24-27-14)15-7-4-3-5-8-15)21(26)23-17-10-6-9-16(13-17)20-22-11-12-25(20)2/h3-13H,1-2H3,(H,23,26)
InChIKeyMNAOWUAVYSDXEV-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.30
Rot. Bonds4

About 5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 60557129) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID60557129
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1cccc(-c2nccn2C)c1
InChIInChI=1S/C21H18N4O2/c1-14-18(19(24-27-14)15-7-4-3-5-8-15)21(26)23-17-10-6-9-16(13-17)20-22-11-12-25(20)2/h3-13H,1-2H3,(H,23,26)
InChIKeyMNAOWUAVYSDXEV-UHFFFAOYSA-N
XLogP4.30
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 60557129) is 5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(-c2nccn2C)c1.
What is the InChIKey of 5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is MNAOWUAVYSDXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-18(19(24-27-14)15-7-4-3-5-8-15)21(26)23-17-10-6-9-16(13-17)20-22-11-12-25(20)2/h3-13H,1-2H3,(H,23,26).
What are the key properties of 5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60557129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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