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

C13H13ClN2O2 — CID 5308713

IUPACN-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc(Cl)c2)no1
InChIInChI=1S/C13H13ClN2O2/c1-2-4-11-8-12(16-18-11)13(17)15-10-6-3-5-9(14)7-10/h3,5-8H,2,4H2,1H3,(H,15,17)
InChIKeyRTIORYZMEGBFRA-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.53
Rot. Bonds4

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

N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 5308713) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID5308713
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc(Cl)c2)no1
InChIInChI=1S/C13H13ClN2O2/c1-2-4-11-8-12(16-18-11)13(17)15-10-6-3-5-9(14)7-10/h3,5-8H,2,4H2,1H3,(H,15,17)
InChIKeyRTIORYZMEGBFRA-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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'-(4-chlorophenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812574
5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 2814205
N-(3-chloro-4-fluorophenyl)-3-methylisoxazole-5-carboxamide
CID 8065341
4-chloro-N-(3-chlorophenyl)-3-methylisoxazole-5-carboxamide
CID 20868352
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-isopropylisoxazole-3-carboxamide
CID 3240071
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CID 5075788

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 5308713) is N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2cccc(Cl)c2)no1.
What is the InChIKey of N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is RTIORYZMEGBFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-4-11-8-12(16-18-11)13(17)15-10-6-3-5-9(14)7-10/h3,5-8H,2,4H2,1H3,(H,15,17).
What are the key properties of N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).