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

C17H20ClN3O2 — CID 24794134

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C17H20ClN3O2/c1-12-9-16(20-23-12)17(22)19-15-3-2-8-21(11-15)10-13-4-6-14(18)7-5-13/h4-7,9,15H,2-3,8,10-11H2,1H3,(H,19,22)
InChIKeyCRIYKDKJUXDZHU-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.03
Rot. Bonds4

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

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 24794134) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID24794134
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C17H20ClN3O2/c1-12-9-16(20-23-12)17(22)19-15-3-2-8-21(11-15)10-13-4-6-14(18)7-5-13/h4-7,9,15H,2-3,8,10-11H2,1H3,(H,19,22)
InChIKeyCRIYKDKJUXDZHU-UHFFFAOYSA-N
XLogP3.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ML-210
CID 49766530
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-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
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
5-(4-Chlorophenyl)isoxazol-3-yl 4-phenylpiperazinyl ketone
CID 17252726
N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
CID 139209090

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 24794134) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)no1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is CRIYKDKJUXDZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12-9-16(20-23-12)17(22)19-15-3-2-8-21(11-15)10-13-4-6-14(18)7-5-13/h4-7,9,15H,2-3,8,10-11H2,1H3,(H,19,22).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24794134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).