trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol

C14H22N2O2 — CID 125452075

IUPACtrans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol
SMILESC[C@H]1C[C@H](C)CC(O)(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C14H22N2O2/c1-9-5-10(2)7-14(17,6-9)8-12-15-13(16-18-12)11-3-4-11/h9-11,17H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyFDQHXNQJAAIHHR-UWVGGRQHSA-N
MW250.34 g/mol
LogP2.68
Rot. Bonds3

About trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol

trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol (PubChem CID 125452075) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol
PubChem CID125452075
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametrans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol
SMILESC[C@H]1C[C@H](C)CC(O)(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C14H22N2O2/c1-9-5-10(2)7-14(17,6-9)8-12-15-13(16-18-12)11-3-4-11/h9-11,17H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyFDQHXNQJAAIHHR-UWVGGRQHSA-N
XLogP2.68
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol
CID 125454590
1-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845271
tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate
CID 125454983
3,3-dimethyl-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349828
3-methyl-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65412841
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
CID 86261805
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine
CID 47027367
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
cis-(1S,3S)-1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylcyclohexan-1-ol
CID 125453031
1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79841806
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol
CID 170202003
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579

Frequently Asked Questions

What is the IUPAC name of trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol (CID 125452075) is trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol is C[C@H]1C[C@H](C)CC(O)(Cc2nc(C3CC3)no2)C1.
What is the InChIKey of trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is FDQHXNQJAAIHHR-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-5-10(2)7-14(17,6-9)8-12-15-13(16-18-12)11-3-4-11/h9-11,17H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol?
trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 125452075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).