2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide

C11H9ClN2O2 — CID 166414643

IUPAC2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(-c2ncco2)cc1
InChIInChI=1S/C11H9ClN2O2/c12-7-10(15)14-9-3-1-8(2-4-9)11-13-5-6-16-11/h1-6H,7H2,(H,14,15)
InChIKeyXQGHBMNKWWTUBT-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.52
Rot. Bonds3

About 2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide

2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide (PubChem CID 166414643) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide
PubChem CID166414643
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(-c2ncco2)cc1
InChIInChI=1S/C11H9ClN2O2/c12-7-10(15)14-9-3-1-8(2-4-9)11-13-5-6-16-11/h1-6H,7H2,(H,14,15)
InChIKeyXQGHBMNKWWTUBT-UHFFFAOYSA-N
XLogP2.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(5-Phenyl-1,3-oxazol-2-yl)aniline
CID 854968
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
4-(1,3-Oxazol-5-yl)aniline
CID 517747
4-Chloro-N-(4-(5-oxazolyl)phenyl)benzamide
CID 2739168
2-chloro-N-(4-(5-phenyloxazol-2-yl)phenyl)benzamide
CID 44549004
N1-[4-(1,3-oxazol-5-yl)phenyl]-2,2-dimethylpropanamide
CID 2806322
4-(1,3-Oxazol-2-yl)aniline
CID 12371739
4-{[4-(2-Phenyl-1,3-oxazol-5-yl)phenyl]amino}-3-penten-2-one
CID 5310855
N'-tert-butyl-N-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 44291528
(2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 104902976
N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
CID 2806321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide (CID 166414643) is 2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide is O=C(CCl)Nc1ccc(-c2ncco2)cc1.
What is the InChIKey of 2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide?
The InChIKey is XQGHBMNKWWTUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-7-10(15)14-9-3-1-8(2-4-9)11-13-5-6-16-11/h1-6H,7H2,(H,14,15).
What are the key properties of 2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide?
2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide has a molecular weight of 236.66 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1,3-oxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 166414643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).