3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C13H15ClN2O2 — CID 3158086

IUPAC3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)NC(=O)C1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C13H15ClN2O2/c1-8(2)15-13(17)12-7-11(16-18-12)9-5-3-4-6-10(9)14/h3-6,8,12H,7H2,1-2H3,(H,15,17)
InChIKeyHWAVGGJFFCNHCE-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.36
Rot. Bonds3

About 3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3158086) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3158086
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)NC(=O)C1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C13H15ClN2O2/c1-8(2)15-13(17)12-7-11(16-18-12)9-5-3-4-6-10(9)14/h3-6,8,12H,7H2,1-2H3,(H,15,17)
InChIKeyHWAVGGJFFCNHCE-UHFFFAOYSA-N
XLogP2.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3158086) is 3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)NC(=O)C1CC(c2ccccc2Cl)=NO1.
What is the InChIKey of 3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is HWAVGGJFFCNHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8(2)15-13(17)12-7-11(16-18-12)9-5-3-4-6-10(9)14/h3-6,8,12H,7H2,1-2H3,(H,15,17).
What are the key properties of 3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3158086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).