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

C22H17ClN2O2 — CID 46264529

IUPACN-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C22H17ClN2O2/c23-17-8-4-7-16(13-17)22-25-19-14-18(10-11-20(19)27-22)24-21(26)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14H,9,12H2,(H,24,26)
InChIKeyNYIKGBIJUYIRJT-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.72
Rot. Bonds5

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

N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide (PubChem CID 46264529) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
PubChem CID46264529
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC NameN-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C22H17ClN2O2/c23-17-8-4-7-16(13-17)22-25-19-14-18(10-11-20(19)27-22)24-21(26)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14H,9,12H2,(H,24,26)
InChIKeyNYIKGBIJUYIRJT-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
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242
N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide
CID 4649343
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3125086
3-phenyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 1315264
3-chloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 1496927
2-(benzylamino)-N-[4-[5-[[2-(benzylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 3816476
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide
CID 23964998
2-chloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683555
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17110968

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide (CID 46264529) is N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide?
The InChIKey is NYIKGBIJUYIRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-17-8-4-7-16(13-17)22-25-19-14-18(10-11-20(19)27-22)24-21(26)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14H,9,12H2,(H,24,26).
What are the key properties of N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide?
N-[2-(3-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-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide is sourced from PubChem (CID 46264529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).