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

C23H19ClN2O2 — CID 54858538

IUPAC2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
SMILESCc1ccc2oc(Cc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)nc2c1
InChIInChI=1S/C23H19ClN2O2/c1-15-2-11-21-20(12-15)26-23(28-21)14-17-5-9-19(10-6-17)25-22(27)13-16-3-7-18(24)8-4-16/h2-12H,13-14H2,1H3,(H,25,27)
InChIKeyOKBNFTPDLAUZLB-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.56
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (PubChem CID 54858538) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
PubChem CID54858538
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
SMILESCc1ccc2oc(Cc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)nc2c1
InChIInChI=1S/C23H19ClN2O2/c1-15-2-11-21-20(12-15)26-23(28-21)14-17-5-9-19(10-6-17)25-22(27)13-16-3-7-18(24)8-4-16/h2-12H,13-14H2,1H3,(H,25,27)
InChIKeyOKBNFTPDLAUZLB-UHFFFAOYSA-N
XLogP5.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
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-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutanamide
CID 54857895
2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858831
2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858705
4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857949
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylsulfanylacetamide
CID 16729603
2-[[4-(chloromethyl)phenyl]methyl]-5-methyl-1,3-benzoxazole
CID 142008394
N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 54858611
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide
CID 54858483
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (CID 54858538) is 2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is Cc1ccc2oc(Cc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?
The InChIKey is OKBNFTPDLAUZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-15-2-11-21-20(12-15)26-23(28-21)14-17-5-9-19(10-6-17)25-22(27)13-16-3-7-18(24)8-4-16/h2-12H,13-14H2,1H3,(H,25,27).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide has a molecular weight of 390.87 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 54858538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).