N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C13H13ClN2O2 — CID 1245472

IUPACN-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2)no1
InChIInChI=1S/C13H13ClN2O2/c1-9-8-12(16-18-9)13(17)15-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyKITLDELTDRCMKC-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.61
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 1245472) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID1245472
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2)no1
InChIInChI=1S/C13H13ClN2O2/c1-9-8-12(16-18-9)13(17)15-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyKITLDELTDRCMKC-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[(3,4-Dichlorobenzoyl)amino]ethyl]-N-hydroxy-3-isoxazolecarboxamide
CID 135348858
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093826
Azepan-1-yl-[5-(2,4-dichloro-phenyl)-isoxazol-3-yl]-methanone
CID 1093827
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
5-(2-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093869
5-(4-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 6619223
5-(3-chlorophenyl)-N-cyclopentyl-3-isoxazolecarboxamide
CID 15993274
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
5-(4-Chlorophenyl)isoxazol-3-yl 4-phenylpiperazinyl ketone
CID 17252726
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 1245472) is N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCc2ccc(Cl)cc2)no1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KITLDELTDRCMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9-8-12(16-18-9)13(17)15-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1245472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).