2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide

C13H13ClN2O2 — CID 65485859

IUPAC2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide
SMILESCc1noc(NC(=O)C(Cl)c2ccccc2)c1C
InChIInChI=1S/C13H13ClN2O2/c1-8-9(2)16-18-13(8)15-12(17)11(14)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,15,17)
InChIKeyLGDVPIWAYHHPIP-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide

2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide (PubChem CID 65485859) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide
PubChem CID65485859
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide
SMILESCc1noc(NC(=O)C(Cl)c2ccccc2)c1C
InChIInChI=1S/C13H13ClN2O2/c1-8-9(2)16-18-13(8)15-12(17)11(14)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,15,17)
InChIKeyLGDVPIWAYHHPIP-UHFFFAOYSA-N
XLogP3.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide (CID 65485859) is 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide is Cc1noc(NC(=O)C(Cl)c2ccccc2)c1C.
What is the InChIKey of 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide?
The InChIKey is LGDVPIWAYHHPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-9(2)16-18-13(8)15-12(17)11(14)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide?
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide has a molecular weight of 264.71 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 65485859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).