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

C12H11ClN2O2 — CID 114300229

IUPACN-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC(CCl)c1ccccc1)c1ccon1
InChIInChI=1S/C12H11ClN2O2/c13-8-11(9-4-2-1-3-5-9)14-12(16)10-6-7-17-15-10/h1-7,11H,8H2,(H,14,16)
InChIKeyRKBKZZQNBMRZPQ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.38
Rot. Bonds4

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

N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 114300229) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID114300229
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC NameN-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC(CCl)c1ccccc1)c1ccon1
InChIInChI=1S/C12H11ClN2O2/c13-8-11(9-4-2-1-3-5-9)14-12(16)10-6-7-17-15-10/h1-7,11H,8H2,(H,14,16)
InChIKeyRKBKZZQNBMRZPQ-UHFFFAOYSA-N
XLogP2.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.38
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-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 95027054
N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 113272358
N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide
CID 104643141
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-(2-chloro-1-phenylethyl)-4-propan-2-ylbenzamide
CID 114300182
N-(2-chloro-1-phenylethyl)-2-ethylbenzamide
CID 114300081
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-1,2-oxazole-3-carboxamide
CID 97086628
N-(2-chloro-1-phenylethyl)-3,4,5-trifluorobenzamide
CID 114300143
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
CID 114300057
N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113272304
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide (CID 114300229) is N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide is O=C(NC(CCl)c1ccccc1)c1ccon1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RKBKZZQNBMRZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-8-11(9-4-2-1-3-5-9)14-12(16)10-6-7-17-15-10/h1-7,11H,8H2,(H,14,16).
What are the key properties of N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide?
N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 114300229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).