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

C22H30N4O2 — CID 92577417

IUPACN-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1
InChIInChI=1S/C22H30N4O2/c27-22(24-14-17-7-2-1-3-8-17)21-13-20(25-28-21)18-9-6-12-26(15-18)16-19-10-4-5-11-23-19/h4-5,10-11,13,17-18H,1-3,6-9,12,14-16H2,(H,24,27)/t18-/m0/s1
InChIKeyAOZKHQNTNITMQI-SFHVURJKSA-N
MW382.51 g/mol
LogP3.76
Rot. Bonds6

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

N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92577417) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID92577417
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1
InChIInChI=1S/C22H30N4O2/c27-22(24-14-17-7-2-1-3-8-17)21-13-20(25-28-21)18-9-6-12-26(15-18)16-19-10-4-5-11-23-19/h4-5,10-11,13,17-18H,1-3,6-9,12,14-16H2,(H,24,27)/t18-/m0/s1
InChIKeyAOZKHQNTNITMQI-SFHVURJKSA-N
XLogP3.76
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92577412
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92578159
N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92576546
1-benzyl-3-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 95201612
N-(2-cyclopentylethyl)-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92636232
N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92611232
N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92558001
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92601835
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 110229053
2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide
CID 95227434

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 92577417) is N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is O=C(NCC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is AOZKHQNTNITMQI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-22(24-14-17-7-2-1-3-8-17)21-13-20(25-28-21)18-9-6-12-26(15-18)16-19-10-4-5-11-23-19/h4-5,10-11,13,17-18H,1-3,6-9,12,14-16H2,(H,24,27)/t18-/m0/s1.
What are the key properties of N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92577417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).