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

C17H20ClN3O2 — CID 44580251

IUPACN-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2Cl)no1)C(=O)C1CCNCC1
InChIInChI=1S/C17H20ClN3O2/c1-21(17(22)12-6-8-19-9-7-12)11-13-10-16(20-23-13)14-4-2-3-5-15(14)18/h2-5,10,12,19H,6-9,11H2,1H3
InChIKeyCYVLVDMCSIBANZ-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.95
Rot. Bonds4

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

N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 44580251) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID44580251
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2Cl)no1)C(=O)C1CCNCC1
InChIInChI=1S/C17H20ClN3O2/c1-21(17(22)12-6-8-19-9-7-12)11-13-10-16(20-23-13)14-4-2-3-5-15(14)18/h2-5,10,12,19H,6-9,11H2,1H3
InChIKeyCYVLVDMCSIBANZ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide (CID 44580251) is N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide is CN(Cc1cc(-c2ccccc2Cl)no1)C(=O)C1CCNCC1.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is CYVLVDMCSIBANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-21(17(22)12-6-8-19-9-7-12)11-13-10-16(20-23-13)14-4-2-3-5-15(14)18/h2-5,10,12,19H,6-9,11H2,1H3.
What are the key properties of N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide?
N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 44580251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).