N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide

C24H33N3O2 — CID 125021653

IUPACN-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc([C@@H]2CCCN(CCCc3ccccc3)C2)no1
InChIInChI=1S/C24H33N3O2/c28-24(25-21-13-5-2-6-14-21)23-17-22(26-29-23)20-12-8-16-27(18-20)15-7-11-19-9-3-1-4-10-19/h1,3-4,9-10,17,20-21H,2,5-8,11-16,18H2,(H,25,28)/t20-/m1/s1
InChIKeyYLJUVGVGDQPOKK-HXUWFJFHSA-N
MW395.55 g/mol
LogP4.55
Rot. Bonds7

About N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide

N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 125021653) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID125021653
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc([C@@H]2CCCN(CCCc3ccccc3)C2)no1
InChIInChI=1S/C24H33N3O2/c28-24(25-21-13-5-2-6-14-21)23-17-22(26-29-23)20-12-8-16-27(18-20)15-7-11-19-9-3-1-4-10-19/h1,3-4,9-10,17,20-21H,2,5-8,11-16,18H2,(H,25,28)/t20-/m1/s1
InChIKeyYLJUVGVGDQPOKK-HXUWFJFHSA-N
XLogP4.55
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 95811596
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92576546
N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124961712
N-cyclohexyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110252063
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110089253
[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92574689
N-cyclopropyl-3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228950
N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92568130
N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92572171
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 125021653) is N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(CCCc3ccccc3)C2)no1.
What is the InChIKey of N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is YLJUVGVGDQPOKK-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H33N3O2/c28-24(25-21-13-5-2-6-14-21)23-17-22(26-29-23)20-12-8-16-27(18-20)15-7-11-19-9-3-1-4-10-19/h1,3-4,9-10,17,20-21H,2,5-8,11-16,18H2,(H,25,28)/t20-/m1/s1.
What are the key properties of N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 125021653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).