N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide

C13H13ClN2O2 — CID 113272358

IUPACN-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC(CCl)Cc1ccccc1)c1ccon1
InChIInChI=1S/C13H13ClN2O2/c14-9-11(8-10-4-2-1-3-5-10)15-13(17)12-6-7-18-16-12/h1-7,11H,8-9H2,(H,15,17)
InChIKeyUGMGWEZPDSDXAQ-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.25
Rot. Bonds5

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

N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 113272358) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID113272358
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC(CCl)Cc1ccccc1)c1ccon1
InChIInChI=1S/C13H13ClN2O2/c14-9-11(8-10-4-2-1-3-5-10)15-13(17)12-6-7-18-16-12/h1-7,11H,8-9H2,(H,15,17)
InChIKeyUGMGWEZPDSDXAQ-UHFFFAOYSA-N
XLogP2.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.25
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-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 114300229
N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 95027054
N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide
CID 113272332
N-(1-chloro-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 114031419
N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
CID 114300288
N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide
CID 114300346
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
N-(1-chloro-3-phenylpropan-2-yl)-3,4-difluorobenzamide
CID 74554933
3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300382
N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 114300362
4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300309

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide (CID 113272358) is N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide is O=C(NC(CCl)Cc1ccccc1)c1ccon1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is UGMGWEZPDSDXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-9-11(8-10-4-2-1-3-5-10)15-13(17)12-6-7-18-16-12/h1-7,11H,8-9H2,(H,15,17).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide?
N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 113272358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).