3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide

C23H31N3O2 — CID 44522208

IUPAC3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CC3(c4ccccc4)CCCCC3)CC2)on1
InChIInChI=1S/C23H31N3O2/c1-18-16-21(28-25-18)22(27)24-20-10-14-26(15-11-20)17-23(12-6-3-7-13-23)19-8-4-2-5-9-19/h2,4-5,8-9,16,20H,3,6-7,10-15,17H2,1H3,(H,24,27)
InChIKeyGKRUCAPEKRRFCW-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.08
Rot. Bonds5

About 3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide

3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 44522208) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID44522208
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CC3(c4ccccc4)CCCCC3)CC2)on1
InChIInChI=1S/C23H31N3O2/c1-18-16-21(28-25-18)22(27)24-20-10-14-26(15-11-20)17-23(12-6-3-7-13-23)19-8-4-2-5-9-19/h2,4-5,8-9,16,20H,3,6-7,10-15,17H2,1H3,(H,24,27)
InChIKeyGKRUCAPEKRRFCW-UHFFFAOYSA-N
XLogP4.08
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 57330164
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
CID 139209090
N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
CID 139209092
CID 73755230
CID 73755230
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
3-(2-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-1,2-oxazole-5-carboxamide
CID 17096081
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-phenylpiperidin-1-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640042
(3S,6S)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutyl-6-phenylpiperazin-2-one
CID 60143027
(3S,6S)-6-cyclohexyl-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutylpiperazin-2-one
CID 68158230
N-hydroxy-5-[2-[(3-phenylbenzoyl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 142446438

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (CID 44522208) is 3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2CCN(CC3(c4ccccc4)CCCCC3)CC2)on1.
What is the InChIKey of 3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is GKRUCAPEKRRFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18-16-21(28-25-18)22(27)24-20-10-14-26(15-11-20)17-23(12-6-3-7-13-23)19-8-4-2-5-9-19/h2,4-5,8-9,16,20H,3,6-7,10-15,17H2,1H3,(H,24,27).
What are the key properties of 3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 44522208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).