(R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol

C27H42N2O3 — CID 70790454

IUPAC(R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol
SMILESCOCCCCCCCCN(C)Cc1cnc([C@](O)(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C27H42N2O3/c1-29(19-13-5-3-4-6-14-20-31-2)22-25-21-28-26(32-25)27(30,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7,9-10,15-16,21,24,30H,3-6,8,11-14,17-20,22H2,1-2H3/t27-/m0/s1
InChIKeyBVOCUARVGAULEO-MHZLTWQESA-N
MW442.64 g/mol
LogP5.91
Rot. Bonds14

About (R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol

(R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol (PubChem CID 70790454) has the molecular formula C27H42N2O3 and a molecular weight of 442.64 g/mol. Its IUPAC name is (R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol
PubChem CID70790454
Molecular FormulaC27H42N2O3
Molecular Weight442.64 g/mol
Exact Mass442.32
IUPAC Name(R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol
SMILESCOCCCCCCCCN(C)Cc1cnc([C@](O)(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C27H42N2O3/c1-29(19-13-5-3-4-6-14-20-31-2)22-25-21-28-26(32-25)27(30,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7,9-10,15-16,21,24,30H,3-6,8,11-14,17-20,22H2,1-2H3/t27-/m0/s1
InChIKeyBVOCUARVGAULEO-MHZLTWQESA-N
XLogP5.91
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.64
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
CID 69189545
3-[3-[2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]ethyl-methylamino]propoxy]benzaldehyde
CID 87721226
5-[2-[8-[[2-[(R)-cyclopentyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 24811776
(S)-[5-(2-bromoethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
CID 174589979
5-[1-[tert-butyl(dimethyl)silyl]oxy-2-[9-[[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-methylamino]nonylamino]ethyl]-8-hydroxy-1H-quinolin-2-one
CID 66908747
2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]acetonitrile
CID 59317013
(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
[2-[(S)-cyclopentyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethyl-(3-phenoxypropyl)azanium bromide
CID 159912607
(S)-[5-(1-azoniabicyclo[2.2.2]octan-1-ylmethyl)-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
CID 59226191
[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethyl-(3-phenylpropyl)azanium
CID 59317021
[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 (R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol?
The IUPAC name of (R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol (CID 70790454) is (R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol?
The canonical SMILES for (R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol is COCCCCCCCCN(C)Cc1cnc([C@](O)(c2ccccc2)C2CCCCC2)o1.
What is the InChIKey of (R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol?
The InChIKey is BVOCUARVGAULEO-MHZLTWQESA-N. The full InChI is InChI=1S/C27H42N2O3/c1-29(19-13-5-3-4-6-14-20-31-2)22-25-21-28-26(32-25)27(30,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7,9-10,15-16,21,24,30H,3-6,8,11-14,17-20,22H2,1-2H3/t27-/m0/s1.
What are the key properties of (R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol?
(R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol has a molecular weight of 442.64 g/mol, XLogP of 5.91, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol is sourced from PubChem (CID 70790454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).