(S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol

C22H30N2O2 — CID 59317031

IUPAC(S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol
SMILESO[C@@](c1ccccc1)(c1ncc(CN2CCCCC2)o1)C1CCCCC1
InChIInChI=1S/C22H30N2O2/c25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)21-23-16-20(26-21)17-24-14-8-3-9-15-24/h1,4-5,10-11,16,19,25H,2-3,6-9,12-15,17H2/t22-/m1/s1
InChIKeyPNNABDZCZWBTHN-JOCHJYFZSA-N
MW354.49 g/mol
LogP4.48
Rot. Bonds5

About (S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol

(S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol (PubChem CID 59317031) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol.

Molecular Properties

Compound Name(S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol
PubChem CID59317031
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol
SMILESO[C@@](c1ccccc1)(c1ncc(CN2CCCCC2)o1)C1CCCCC1
InChIInChI=1S/C22H30N2O2/c25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)21-23-16-20(26-21)17-24-14-8-3-9-15-24/h1,4-5,10-11,16,19,25H,2-3,6-9,12-15,17H2/t22-/m1/s1
InChIKeyPNNABDZCZWBTHN-JOCHJYFZSA-N
XLogP4.48
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-cyclohexyl-phenyl-[5-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol
CID 59317092
cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol
CID 143736568
(S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
CID 174589979
2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile
CID 59317013
(S)-[5-(1-azoniabicyclo[2.2.2]octan-1-ylmethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
CID 59226191
(R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
CID 69189545
[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethyl-(3-phenylpropyl)azanium
CID 59317021
[5-[(4-phenoxypiperidin-1-yl)methyl]-1,3-oxazol-2-yl]-diphenylmethanol
CID 59317029
[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethyl-(4-methylpent-3-enyl)azanium bromide
CID 87449883
(R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol
CID 91390117
(R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol
CID 70790454
[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]methyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium
CID 74385443

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol?
The IUPAC name of (S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol (CID 59317031) is (S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol.
What is the SMILES notation for (S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol?
The canonical SMILES for (S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol is O[C@@](c1ccccc1)(c1ncc(CN2CCCCC2)o1)C1CCCCC1.
What is the InChIKey of (S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol?
The InChIKey is PNNABDZCZWBTHN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)21-23-16-20(26-21)17-24-14-8-3-9-15-24/h1,4-5,10-11,16,19,25H,2-3,6-9,12-15,17H2/t22-/m1/s1.
What are the key properties of (S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol?
(S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol has a molecular weight of 354.49 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol is sourced from PubChem (CID 59317031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).