N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide

C26H21N3O4 — CID 16880182

IUPACN-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(C)no2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C26H21N3O4/c1-16-12-13-22(20(14-16)24(30)18-8-4-3-5-9-18)27-25(31)19-10-6-7-11-21(19)28-26(32)23-15-17(2)29-33-23/h3-15H,1-2H3,(H,27,31)(H,28,32)
InChIKeyONRBOVBXFQSMPT-UHFFFAOYSA-N
MW439.47 g/mol
LogP5.03
Rot. Bonds6

About N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 16880182) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID16880182
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC NameN-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(C)no2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C26H21N3O4/c1-16-12-13-22(20(14-16)24(30)18-8-4-3-5-9-18)27-25(31)19-10-6-7-11-21(19)28-26(32)23-15-17(2)29-33-23/h3-15H,1-2H3,(H,27,31)(H,28,32)
InChIKeyONRBOVBXFQSMPT-UHFFFAOYSA-N
XLogP5.03
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
CID 4829157
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880181
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128
N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide
CID 41126334
3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 34746741
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 20868329
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide
CID 16828774

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 16880182) is N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(C)no2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ONRBOVBXFQSMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c1-16-12-13-22(20(14-16)24(30)18-8-4-3-5-9-18)27-25(31)19-10-6-7-11-21(19)28-26(32)23-15-17(2)29-33-23/h3-15H,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16880182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).