2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile

C18H20N2O2 — CID 59317013

IUPAC2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile
SMILESN#CCc1cnc(C(O)(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C18H20N2O2/c19-12-11-16-13-20-17(22-16)18(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,13,15,21H,2,5-6,9-11H2
InChIKeyLOOQCAWZYRLGOQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.56
Rot. Bonds4

About 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile

2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile (PubChem CID 59317013) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile
PubChem CID59317013
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile
SMILESN#CCc1cnc(C(O)(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C18H20N2O2/c19-12-11-16-13-20-17(22-16)18(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,13,15,21H,2,5-6,9-11H2
InChIKeyLOOQCAWZYRLGOQ-UHFFFAOYSA-N
XLogP3.56
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
CID 174589979
(R)-cyclohexyl-phenyl-[5-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol
CID 59317092
(S)-cyclohexyl-phenyl-[5-(piperidin-1-ylmethyl)-1,3-oxazol-2-yl]methanol
CID 59317031
(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
cyclohexyl-[5-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-oxazol-2-yl]-phenylmethanol
CID 143736568
[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethyl-(3-phenylpropyl)azanium
CID 59317021
[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethyl-(4-methylpent-3-enyl)azanium bromide
CID 87449883
(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
(R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol
CID 91390117
[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethyl-[2-(4-methylphenoxy)ethyl]azanium chloride
CID 25003499

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile (CID 59317013) is 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile is N#CCc1cnc(C(O)(c2ccccc2)C2CCCCC2)o1.
What is the InChIKey of 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile?
The InChIKey is LOOQCAWZYRLGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-12-11-16-13-20-17(22-16)18(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,13,15,21H,2,5-6,9-11H2.
What are the key properties of 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile?
2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile has a molecular weight of 296.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile is sourced from PubChem (CID 59317013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).