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

C13H13ClN2O2 — CID 113271445

IUPACN-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(Cl)c2ccccc2)no1
InChIInChI=1S/C13H13ClN2O2/c1-9-7-12(16-18-9)13(17)15-8-11(14)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,15,17)
InChIKeyYZWKMKAJJAFOSG-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.69
Rot. Bonds4

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

N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 113271445) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID113271445
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(Cl)c2ccccc2)no1
InChIInChI=1S/C13H13ClN2O2/c1-9-7-12(16-18-9)13(17)15-8-11(14)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,15,17)
InChIKeyYZWKMKAJJAFOSG-UHFFFAOYSA-N
XLogP2.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.69
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

N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964
N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 113271444
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-(2-chloro-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 114295626
N-(2-bromo-1-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 114311175
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110279895
methyl 2-bromo-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 103492671
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide
CID 106754192
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157151
5-methyl-N-[(2S)-2-methyl-3-(methylamino)propyl]-1,2-oxazole-3-carboxamide
CID 97325190
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 113271445) is N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC(Cl)c2ccccc2)no1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YZWKMKAJJAFOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9-7-12(16-18-9)13(17)15-8-11(14)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,15,17).
What are the key properties of N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 113271445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).