N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

C26H21Cl2N3O3 — CID 122189922

IUPACN-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C26H21Cl2N3O3/c1-15-3-12-21(13-23(15)31-25(32)22-14-29-34-16(22)2)30-26(33)24(17-4-8-19(27)9-5-17)18-6-10-20(28)11-7-18/h3-14,24H,1-2H3,(H,30,33)(H,31,32)
InChIKeyPPWLCAXGIBIDFH-UHFFFAOYSA-N
MW494.38 g/mol
LogP6.62
Rot. Bonds6

About N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122189922) has the molecular formula C26H21Cl2N3O3 and a molecular weight of 494.38 g/mol. Its IUPAC name is N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122189922
Molecular FormulaC26H21Cl2N3O3
Molecular Weight494.38 g/mol
Exact Mass493.10
IUPAC NameN-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C26H21Cl2N3O3/c1-15-3-12-21(13-23(15)31-25(32)22-14-29-34-16(22)2)30-26(33)24(17-4-8-19(27)9-5-17)18-6-10-20(28)11-7-18/h3-14,24H,1-2H3,(H,30,33)(H,31,32)
InChIKeyPPWLCAXGIBIDFH-UHFFFAOYSA-N
XLogP6.62
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.38
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189928
N-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189939
N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189920
N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189921
5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189926
5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189929
N-[5-[(4-chlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189933
N-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189937
N-[5-[(3,5-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189938
4-Isoxazolecarboxamide, N-(4-benzoylphenyl)-5-methyl-
CID 850845
N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 42637759
N-[4-(3-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 42637906

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 122189922) is N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1NC(=O)c1cnoc1C.
What is the InChIKey of N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PPWLCAXGIBIDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N3O3/c1-15-3-12-21(13-23(15)31-25(32)22-14-29-34-16(22)2)30-26(33)24(17-4-8-19(27)9-5-17)18-6-10-20(28)11-7-18/h3-14,24H,1-2H3,(H,30,33)(H,31,32).
What are the key properties of N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 494.38 g/mol, XLogP of 6.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).