2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide

C20H22N4O2S — CID 72857847

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide
SMILESCc1cc(C2CCCCN2C(=O)Nc2cccc(-c3csc(C)n3)c2)no1
InChIInChI=1S/C20H22N4O2S/c1-13-10-17(23-26-13)19-8-3-4-9-24(19)20(25)22-16-7-5-6-15(11-16)18-12-27-14(2)21-18/h5-7,10-12,19H,3-4,8-9H2,1-2H3,(H,22,25)
InChIKeyQQUXSZOLIAXLIU-UHFFFAOYSA-N
MW382.49 g/mol
LogP5.17
Rot. Bonds3

About 2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide

2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide (PubChem CID 72857847) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide
PubChem CID72857847
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide
SMILESCc1cc(C2CCCCN2C(=O)Nc2cccc(-c3csc(C)n3)c2)no1
InChIInChI=1S/C20H22N4O2S/c1-13-10-17(23-26-13)19-8-3-4-9-24(19)20(25)22-16-7-5-6-15(11-16)18-12-27-14(2)21-18/h5-7,10-12,19H,3-4,8-9H2,1-2H3,(H,22,25)
InChIKeyQQUXSZOLIAXLIU-UHFFFAOYSA-N
XLogP5.17
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide (CID 72857847) is 2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide is Cc1cc(C2CCCCN2C(=O)Nc2cccc(-c3csc(C)n3)c2)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is QQUXSZOLIAXLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13-10-17(23-26-13)19-8-3-4-9-24(19)20(25)22-16-7-5-6-15(11-16)18-12-27-14(2)21-18/h5-7,10-12,19H,3-4,8-9H2,1-2H3,(H,22,25).
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide?
2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 72857847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).