2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

C12H11ClN2O2 — CID 3099031

IUPAC2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCc1cc(NC(=O)C(Cl)c2ccccc2)no1
InChIInChI=1S/C12H11ClN2O2/c1-8-7-10(15-17-8)14-12(16)11(13)9-5-3-2-4-6-9/h2-7,11H,1H3,(H,14,15,16)
InChIKeyWIROTDJNVBQVLU-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (PubChem CID 3099031) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
PubChem CID3099031
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCc1cc(NC(=O)C(Cl)c2ccccc2)no1
InChIInChI=1S/C12H11ClN2O2/c1-8-7-10(15-17-8)14-12(16)11(13)9-5-3-2-4-6-9/h2-7,11H,1H3,(H,14,15,16)
InChIKeyWIROTDJNVBQVLU-UHFFFAOYSA-N
XLogP2.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.90
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

Soretolide
CID 198730
2,4-Dichloro-N-(5-methyl-3-isoxazolyl)benzamide
CID 670270
4-tert-butyl-N-(5-methyl-3-isoxazolyl)benzamide
CID 670749
Benzamide, N-(5-methyl-3-isoxazolyl)-
CID 569560
2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6467231
4-chloro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 739409
N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide
CID 739602
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide
CID 889538
4-[(cyclopropylcarbonyl)amino]-N-(5-methyl-3-isoxazolyl)benzamide
CID 934489
N-(Isoxazol-3-yl)-2-phenylbutanamide
CID 2971247
2-(2-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6465012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (CID 3099031) is 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is Cc1cc(NC(=O)C(Cl)c2ccccc2)no1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The InChIKey is WIROTDJNVBQVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-7-10(15-17-8)14-12(16)11(13)9-5-3-2-4-6-9/h2-7,11H,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide has a molecular weight of 250.69 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 3099031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).