2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide

C16H13ClN2O2 — CID 133167282

IUPAC2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2oc(Cl)nc2c1)c1ccccc1
InChIInChI=1S/C16H13ClN2O2/c1-10(11-5-3-2-4-6-11)18-15(20)12-7-8-14-13(9-12)19-16(17)21-14/h2-10H,1H3,(H,18,20)
InChIKeyOUFDHICMHGGDGB-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.97
Rot. Bonds3

About 2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide

2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 133167282) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide
PubChem CID133167282
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2oc(Cl)nc2c1)c1ccccc1
InChIInChI=1S/C16H13ClN2O2/c1-10(11-5-3-2-4-6-11)18-15(20)12-7-8-14-13(9-12)19-16(17)21-14/h2-10H,1H3,(H,18,20)
InChIKeyOUFDHICMHGGDGB-UHFFFAOYSA-N
XLogP3.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 100787147
2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 110765208
2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 100787163
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide
CID 100786779
N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide
CID 4571608
2-chloro-N-[(2R)-4-hydroxybutan-2-yl]-1,3-benzoxazole-6-carboxamide
CID 100786984
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53237443
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide (CID 133167282) is 2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide is CC(NC(=O)c1ccc2oc(Cl)nc2c1)c1ccccc1.
What is the InChIKey of 2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is OUFDHICMHGGDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10(11-5-3-2-4-6-11)18-15(20)12-7-8-14-13(9-12)19-16(17)21-14/h2-10H,1H3,(H,18,20).
What are the key properties of 2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide?
2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 133167282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).