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

C17H15ClN2O2 — CID 110786404

IUPAC2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
SMILESCc1nc2cc(CNC(=O)Cc3ccccc3Cl)ccc2o1
InChIInChI=1S/C17H15ClN2O2/c1-11-20-15-8-12(6-7-16(15)22-11)10-19-17(21)9-13-4-2-3-5-14(13)18/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyITBMZUGCZDOFGT-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.65
Rot. Bonds4

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

2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide (PubChem CID 110786404) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
PubChem CID110786404
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
SMILESCc1nc2cc(CNC(=O)Cc3ccccc3Cl)ccc2o1
InChIInChI=1S/C17H15ClN2O2/c1-11-20-15-8-12(6-7-16(15)22-11)10-19-17(21)9-13-4-2-3-5-14(13)18/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyITBMZUGCZDOFGT-UHFFFAOYSA-N
XLogP3.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110707532
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110773812
1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775538
N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390579
5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide
CID 110794899
N-[(2-chlorophenyl)methyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680031
2-(2-methyl-1,3-benzoxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110773886
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
CID 110773848
N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517
2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794630
3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110794896
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide (CID 110786404) is 2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide is Cc1nc2cc(CNC(=O)Cc3ccccc3Cl)ccc2o1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide?
The InChIKey is ITBMZUGCZDOFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-20-15-8-12(6-7-16(15)22-11)10-19-17(21)9-13-4-2-3-5-14(13)18/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide?
2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide has a molecular weight of 314.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 110786404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).