5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide

C25H21N3O3 — CID 122189929

IUPAC5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C25H21N3O3/c1-16-8-13-21(14-23(16)28-25(30)22-15-26-31-17(22)2)27-24(29)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,27,29)(H,28,30)
InChIKeyVHRILNSMWNCPBN-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.46
Rot. Bonds5

About 5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 122189929) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID122189929
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C25H21N3O3/c1-16-8-13-21(14-23(16)28-25(30)22-15-26-31-17(22)2)27-24(29)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,27,29)(H,28,30)
InChIKeyVHRILNSMWNCPBN-UHFFFAOYSA-N
XLogP5.46
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide (CID 122189929) is 5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)c1cnoc1C.
What is the InChIKey of 5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is VHRILNSMWNCPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-16-8-13-21(14-23(16)28-25(30)22-15-26-31-17(22)2)27-24(29)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).