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

C13H13ClN2O2 — CID 3240071

IUPACN-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(Cl)c2)no1
InChIInChI=1S/C13H13ClN2O2/c1-8(2)12-7-11(16-18-12)13(17)15-10-5-3-4-9(14)6-10/h3-8H,1-2H3,(H,15,17)
InChIKeyJFZSPOLGILAGQH-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.70
Rot. Bonds3

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

N-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3240071) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3240071
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(Cl)c2)no1
InChIInChI=1S/C13H13ClN2O2/c1-8(2)12-7-11(16-18-12)13(17)15-10-5-3-4-9(14)6-10/h3-8H,1-2H3,(H,15,17)
InChIKeyJFZSPOLGILAGQH-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
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CID 17173847
N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 1245472
N-(3-chloro-4-fluorophenyl)-3-methylisoxazole-5-carboxamide
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CID 20868352
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 24794134
N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1252051
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095
N-(3-Chlorophenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 5075788
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CID 5308779
N-(3-chlorophenyl)-1,2-benzoxazole-3-carboxamide
CID 167437417

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 3240071) is N-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2cccc(Cl)c2)no1.
What is the InChIKey of N-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is JFZSPOLGILAGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8(2)12-7-11(16-18-12)13(17)15-10-5-3-4-9(14)6-10/h3-8H,1-2H3,(H,15,17).
What are the key properties of N-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3240071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).