5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide

C21H21ClN4O2 — CID 75521128

IUPAC5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCCCC2)nc1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C21H21ClN4O2/c22-16-6-4-15(5-7-16)20-12-19(25-28-20)21(27)24-17-8-9-18(23-13-17)14-26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11,14H2,(H,24,27)
InChIKeyWSRPFMYYUJEAFA-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.63
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide (PubChem CID 75521128) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
PubChem CID75521128
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCCCC2)nc1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C21H21ClN4O2/c22-16-6-4-15(5-7-16)20-12-19(25-28-20)21(27)24-17-8-9-18(23-13-17)14-26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11,14H2,(H,24,27)
InChIKeyWSRPFMYYUJEAFA-UHFFFAOYSA-N
XLogP4.63
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 46952038
5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-1,2-oxazole-3-carboxamide
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5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340293
5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 42279430
N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
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CID 3241430
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381994
N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17022037
2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide (CID 75521128) is 5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(CN2CCCCC2)nc1)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WSRPFMYYUJEAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-16-6-4-15(5-7-16)20-12-19(25-28-20)21(27)24-17-8-9-18(23-13-17)14-26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11,14H2,(H,24,27).
What are the key properties of 5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75521128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).