N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide

C22H17ClN2O2 — CID 1305958

IUPACN-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1
InChIInChI=1S/C22H17ClN2O2/c23-18-9-5-4-8-17(18)22-25-19-14-16(11-12-20(19)27-22)24-21(26)13-10-15-6-2-1-3-7-15/h1-9,11-12,14H,10,13H2,(H,24,26)
InChIKeyFFGMTJCIMPKPAS-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.72
Rot. Bonds5

About N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide

N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide (PubChem CID 1305958) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
PubChem CID1305958
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC NameN-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1
InChIInChI=1S/C22H17ClN2O2/c23-18-9-5-4-8-17(18)22-25-19-14-16(11-12-20(19)27-22)24-21(26)13-10-15-6-2-1-3-7-15/h1-9,11-12,14H,10,13H2,(H,24,26)
InChIKeyFFGMTJCIMPKPAS-UHFFFAOYSA-N
XLogP5.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
CID 46264529
N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide
CID 4649343
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1323035
2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1322845
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide
CID 952231
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide
CID 25211219
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124271
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide
CID 1369889
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CID 709591
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide (CID 1305958) is N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide?
The InChIKey is FFGMTJCIMPKPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-18-9-5-4-8-17(18)22-25-19-14-16(11-12-20(19)27-22)24-21(26)13-10-15-6-2-1-3-7-15/h1-9,11-12,14H,10,13H2,(H,24,26).
What are the key properties of N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide?
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide has a molecular weight of 376.84 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide is sourced from PubChem (CID 1305958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).