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

C22H17ClN2O2 — CID 4649343

IUPACN-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccccc1-c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C22H17ClN2O2/c23-16-11-12-20-19(14-16)25-22(27-20)17-8-4-5-9-18(17)24-21(26)13-10-15-6-2-1-3-7-15/h1-9,11-12,14H,10,13H2,(H,24,26)
InChIKeyOWEKPEYEDSKTHO-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.72
Rot. Bonds5

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

N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide (PubChem CID 4649343) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide
PubChem CID4649343
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC NameN-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccccc1-c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C22H17ClN2O2/c23-16-11-12-20-19(14-16)25-22(27-20)17-8-4-5-9-18(17)24-21(26)13-10-15-6-2-1-3-7-15/h1-9,11-12,14H,10,13H2,(H,24,26)
InChIKeyOWEKPEYEDSKTHO-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-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
CID 1305958
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
CID 46264529
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide
CID 5343935
4-[2-(5-methyl-1,3-benzoxazol-2-yl)anilino]-4-oxobutanoic acid
CID 3530071
N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 4089024
4-(2,4-dichlorophenoxy)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 3539997
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 112779911
[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone
CID 122383206
3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 4625308
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 23990283
N-[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]-2-(2-phenylethyl)benzamide
CID 4524647
methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide (CID 4649343) is N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccccc1-c1nc2cc(Cl)ccc2o1.
What is the InChIKey of N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide?
The InChIKey is OWEKPEYEDSKTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-16-11-12-20-19(14-16)25-22(27-20)17-8-4-5-9-18(17)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-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide?
N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-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-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 4649343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).