N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide

C20H26N4O3 — CID 110228833

IUPACN-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCOC1)c1cc(C2CCN(Cc3cccnc3)CC2)no1
InChIInChI=1S/C20H26N4O3/c25-20(22-17-4-2-10-26-14-17)19-11-18(23-27-19)16-5-8-24(9-6-16)13-15-3-1-7-21-12-15/h1,3,7,11-12,16-17H,2,4-6,8-10,13-14H2,(H,22,25)
InChIKeyWGUHDWQDRXRTLK-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.36
Rot. Bonds5

About N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide

N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 110228833) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID110228833
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCOC1)c1cc(C2CCN(Cc3cccnc3)CC2)no1
InChIInChI=1S/C20H26N4O3/c25-20(22-17-4-2-10-26-14-17)19-11-18(23-27-19)16-5-8-24(9-6-16)13-15-3-1-7-21-12-15/h1,3,7,11-12,16-17H,2,4-6,8-10,13-14H2,(H,22,25)
InChIKeyWGUHDWQDRXRTLK-UHFFFAOYSA-N
XLogP2.36
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92568609
3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92595796
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92569564
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92572171
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110089253
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229025
N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92570736
N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124961712

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide (CID 110228833) is N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide is O=C(NC1CCCOC1)c1cc(C2CCN(Cc3cccnc3)CC2)no1.
What is the InChIKey of N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is WGUHDWQDRXRTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-20(22-17-4-2-10-26-14-17)19-11-18(23-27-19)16-5-8-24(9-6-16)13-15-3-1-7-21-12-15/h1,3,7,11-12,16-17H,2,4-6,8-10,13-14H2,(H,22,25).
What are the key properties of N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide?
N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110228833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).