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

C17H20ClN3O2 — CID 119557122

IUPAC3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCCC1CCCNC1)c1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C17H20ClN3O2/c18-14-5-1-4-13(9-14)15-10-16(23-21-15)17(22)20-8-6-12-3-2-7-19-11-12/h1,4-5,9-10,12,19H,2-3,6-8,11H2,(H,20,22)
InChIKeyNUBHZVRGCGWWFZ-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.11
Rot. Bonds5

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

3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide (PubChem CID 119557122) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide
PubChem CID119557122
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCCC1CCCNC1)c1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C17H20ClN3O2/c18-14-5-1-4-13(9-14)15-10-16(23-21-15)17(22)20-8-6-12-3-2-7-19-11-12/h1,4-5,9-10,12,19H,2-3,6-8,11H2,(H,20,22)
InChIKeyNUBHZVRGCGWWFZ-UHFFFAOYSA-N
XLogP3.11
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119536414
5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119559624
2-(3-chlorophenyl)-2-methyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555390
1-(3-chlorophenyl)-5-ethyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
CID 119555457
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557781
N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63627853
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990344
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide (CID 119557122) is 3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide is O=C(NCCC1CCCNC1)c1cc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is NUBHZVRGCGWWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-14-5-1-4-13(9-14)15-10-16(23-21-15)17(22)20-8-6-12-3-2-7-19-11-12/h1,4-5,9-10,12,19H,2-3,6-8,11H2,(H,20,22).
What are the key properties of 3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide?
3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 119557122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).