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

C22H17ClN2O2 — CID 2274984

IUPAC2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1
InChIInChI=1S/C22H17ClN2O2/c1-14-5-10-20-19(11-14)25-22(27-20)16-3-2-4-18(13-16)24-21(26)12-15-6-8-17(23)9-7-15/h2-11,13H,12H2,1H3,(H,24,26)
InChIKeyDIROJQUBXSGHMO-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.64
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 2274984) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID2274984
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1
InChIInChI=1S/C22H17ClN2O2/c1-14-5-10-20-19(11-14)25-22(27-20)16-3-2-4-18(13-16)24-21(26)12-15-6-8-17(23)9-7-15/h2-11,13H,12H2,1H3,(H,24,26)
InChIKeyDIROJQUBXSGHMO-UHFFFAOYSA-N
XLogP5.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 2274984) is 2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is Cc1ccc2oc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is DIROJQUBXSGHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-14-5-10-20-19(11-14)25-22(27-20)16-3-2-4-18(13-16)24-21(26)12-15-6-8-17(23)9-7-15/h2-11,13H,12H2,1H3,(H,24,26).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 376.84 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 2274984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).