N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide

C25H30N4O2 — CID 92576546

IUPACN-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1
InChIInChI=1S/C25H30N4O2/c30-25(27-20-8-2-1-3-9-20)24-15-23(28-31-24)19-7-6-14-29(17-19)16-18-12-13-26-22-11-5-4-10-21(18)22/h4-5,10-13,15,19-20H,1-3,6-9,14,16-17H2,(H,27,30)/t19-/m0/s1
InChIKeyBHBOGBVOYMTWLL-IBGZPJMESA-N
MW418.54 g/mol
LogP4.66
Rot. Bonds5

About N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide

N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92576546) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID92576546
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1
InChIInChI=1S/C25H30N4O2/c30-25(27-20-8-2-1-3-9-20)24-15-23(28-31-24)19-7-6-14-29(17-19)16-18-12-13-26-22-11-5-4-10-21(18)22/h4-5,10-13,15,19-20H,1-3,6-9,14,16-17H2,(H,27,30)/t19-/m0/s1
InChIKeyBHBOGBVOYMTWLL-IBGZPJMESA-N
XLogP4.66
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125021653
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-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92568130
N-cyclopropyl-3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228950
N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92577417
N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 95811596
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110089253
N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92570736

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 92576546) is N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1.
What is the InChIKey of N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is BHBOGBVOYMTWLL-IBGZPJMESA-N. The full InChI is InChI=1S/C25H30N4O2/c30-25(27-20-8-2-1-3-9-20)24-15-23(28-31-24)19-7-6-14-29(17-19)16-18-12-13-26-22-11-5-4-10-21(18)22/h4-5,10-13,15,19-20H,1-3,6-9,14,16-17H2,(H,27,30)/t19-/m0/s1.
What are the key properties of N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92576546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).