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

C22H17ClN2O2 — CID 3013306

IUPACN-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C22H17ClN2O2/c23-17-8-6-16(7-9-17)13-22-25-19-14-18(10-11-20(19)27-22)24-21(26)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,24,26)
InChIKeyIRQCUUVJVYLTAG-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.25
Rot. Bonds5

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

N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide (PubChem CID 3013306) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
PubChem CID3013306
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC NameN-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C22H17ClN2O2/c23-17-8-6-16(7-9-17)13-22-25-19-14-18(10-11-20(19)27-22)24-21(26)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,24,26)
InChIKeyIRQCUUVJVYLTAG-UHFFFAOYSA-N
XLogP5.25
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 ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]acetamide
CID 3013304
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-(4-fluorophenyl)acetamide
CID 3013305
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylsulfanylacetamide
CID 16729603
2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858538
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 17163223
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide
CID 17163179
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutanamide
CID 54857895
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
CID 17163242
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17163239

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide (CID 3013306) is N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide?
The InChIKey is IRQCUUVJVYLTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-17-8-6-16(7-9-17)13-22-25-19-14-18(10-11-20(19)27-22)24-21(26)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,24,26).
What are the key properties of N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide?
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide has a molecular weight of 376.84 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 3013306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).