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

C22H30N4O2 — CID 92578159

IUPAC3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cc([C@@H]2CCCN(CC3CCCCC3)C2)no1
InChIInChI=1S/C22H30N4O2/c27-22(24-14-17-8-10-23-11-9-17)21-13-20(25-28-21)19-7-4-12-26(16-19)15-18-5-2-1-3-6-18/h8-11,13,18-19H,1-7,12,14-16H2,(H,24,27)/t19-/m1/s1
InChIKeyGKRSBMKVSZBIMO-LJQANCHMSA-N
MW382.51 g/mol
LogP3.76
Rot. Bonds6

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

3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 92578159) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID92578159
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cc([C@@H]2CCCN(CC3CCCCC3)C2)no1
InChIInChI=1S/C22H30N4O2/c27-22(24-14-17-8-10-23-11-9-17)21-13-20(25-28-21)19-7-4-12-26(16-19)15-18-5-2-1-3-6-18/h8-11,13,18-19H,1-7,12,14-16H2,(H,24,27)/t19-/m1/s1
InChIKeyGKRSBMKVSZBIMO-LJQANCHMSA-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-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92568136
N-[(4-methoxyphenyl)methyl]-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596082
N-[(4-methoxyphenyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228971
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
N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92611232
N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92577417
N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229075
N-[(4-methoxyphenyl)methyl]-3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596071
N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229025
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 92568673

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide (CID 92578159) is 3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide is O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(CC3CCCCC3)C2)no1.
What is the InChIKey of 3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is GKRSBMKVSZBIMO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-22(24-14-17-8-10-23-11-9-17)21-13-20(25-28-21)19-7-4-12-26(16-19)15-18-5-2-1-3-6-18/h8-11,13,18-19H,1-7,12,14-16H2,(H,24,27)/t19-/m1/s1.
What are the key properties of 3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-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 3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92578159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).