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

C16H18ClN3O2 — CID 120574779

IUPAC5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
SMILESCC1NCCCC1NC(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C16H18ClN3O2/c1-10-13(6-3-7-18-10)19-16(21)14-9-15(22-20-14)11-4-2-5-12(17)8-11/h2,4-5,8-10,13,18H,3,6-7H2,1H3,(H,19,21)
InChIKeyHYIOJSUYURROHM-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.87
Rot. Bonds3

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

5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 120574779) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID120574779
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
SMILESCC1NCCCC1NC(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C16H18ClN3O2/c1-10-13(6-3-7-18-10)19-16(21)14-9-15(22-20-14)11-4-2-5-12(17)8-11/h2,4-5,8-10,13,18H,3,6-7H2,1H3,(H,19,21)
InChIKeyHYIOJSUYURROHM-UHFFFAOYSA-N
XLogP2.87
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
5-chloro-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 114695049
5-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638985
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442
2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576369
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide
CID 120575010
4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120573485
2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120574509
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide (CID 120574779) is 5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide is CC1NCCCC1NC(=O)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is HYIOJSUYURROHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10-13(6-3-7-18-10)19-16(21)14-9-15(22-20-14)11-4-2-5-12(17)8-11/h2,4-5,8-10,13,18H,3,6-7H2,1H3,(H,19,21).
What are the key properties of 5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 120574779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).