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

C21H21ClN4O2 — CID 75479899

IUPAC3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C21H21ClN4O2/c1-14-19(20(25-28-14)16-7-3-4-8-17(16)22)21(27)24-18-10-9-15(13-23-18)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,23,24,27)
InChIKeyNOAPEDLCZWIACS-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.94
Rot. Bonds4

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

3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide (PubChem CID 75479899) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide
PubChem CID75479899
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C21H21ClN4O2/c1-14-19(20(25-28-14)16-7-3-4-8-17(16)22)21(27)24-18-10-9-15(13-23-18)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,23,24,27)
InChIKeyNOAPEDLCZWIACS-UHFFFAOYSA-N
XLogP4.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide (CID 75479899) is 3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(N2CCCCC2)cn1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide?
The InChIKey is NOAPEDLCZWIACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14-19(20(25-28-14)16-7-3-4-8-17(16)22)21(27)24-18-10-9-15(13-23-18)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,23,24,27).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75479899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).