N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide

C21H15ClN2O2 — CID 67332633

IUPACN-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(-c4ccc(Cl)cc4)ccc3o2)cc1
InChIInChI=1S/C21H15ClN2O2/c1-13(25)23-18-9-4-15(5-10-18)21-24-19-12-16(6-11-20(19)26-21)14-2-7-17(22)8-3-14/h2-12H,1H3,(H,23,25)
InChIKeyFEDSUOJJILDBCC-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.77
Rot. Bonds3

About N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide

N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide (PubChem CID 67332633) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide
PubChem CID67332633
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC NameN-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(-c4ccc(Cl)cc4)ccc3o2)cc1
InChIInChI=1S/C21H15ClN2O2/c1-13(25)23-18-9-4-15(5-10-18)21-24-19-12-16(6-11-20(19)26-21)14-2-7-17(22)8-3-14/h2-12H,1H3,(H,23,25)
InChIKeyFEDSUOJJILDBCC-UHFFFAOYSA-N
XLogP5.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 2995800
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
4-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]aniline
CID 67334689
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880527
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide
CID 1205346
N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880667
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
dimethyl (E)-2-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]amino]but-2-enedioate
CID 168570386

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide (CID 67332633) is N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3cc(-c4ccc(Cl)cc4)ccc3o2)cc1.
What is the InChIKey of N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide?
The InChIKey is FEDSUOJJILDBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c1-13(25)23-18-9-4-15(5-10-18)21-24-19-12-16(6-11-20(19)26-21)14-2-7-17(22)8-3-14/h2-12H,1H3,(H,23,25).
What are the key properties of N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide?
N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide has a molecular weight of 362.82 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 67332633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).