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

C24H15Cl2N3O3 — CID 3658250

IUPAC3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C24H15Cl2N3O3/c1-13-21(22(29-32-13)17-4-2-3-5-18(17)26)23(30)27-16-10-11-20-19(12-16)28-24(31-20)14-6-8-15(25)9-7-14/h2-12H,1H3,(H,27,30)
InChIKeyJUSNNHYXHSXGIF-UHFFFAOYSA-N
MW464.31 g/mol
LogP7.02
Rot. Bonds4

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

3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 3658250) has the molecular formula C24H15Cl2N3O3 and a molecular weight of 464.31 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID3658250
Molecular FormulaC24H15Cl2N3O3
Molecular Weight464.31 g/mol
Exact Mass463.05
IUPAC Name3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C24H15Cl2N3O3/c1-13-21(22(29-32-13)17-4-2-3-5-18(17)26)23(30)27-16-10-11-20-19(12-16)28-24(31-20)14-6-8-15(25)9-7-14/h2-12H,1H3,(H,27,30)
InChIKeyJUSNNHYXHSXGIF-UHFFFAOYSA-N
XLogP7.02
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.31
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide
CID 91624668
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124271
3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
CID 1042639
N-(3-carbamoyl-4-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 166186406
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
3-(2-chlorophenyl)-N-[4-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-methylphenyl]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4521302
3-(2-chlorophenyl)-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-4-carboxamide
CID 17488472
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 3658250) is 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JUSNNHYXHSXGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N3O3/c1-13-21(22(29-32-13)17-4-2-3-5-18(17)26)23(30)27-16-10-11-20-19(12-16)28-24(31-20)14-6-8-15(25)9-7-14/h2-12H,1H3,(H,27,30).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 464.31 g/mol, XLogP of 7.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3658250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).