trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol

C13H21NO2 — CID 5325759

IUPACtrans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol
SMILESCc1noc(C)c1C1(O)[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C13H21NO2/c1-8-6-5-7-9(2)13(8,15)12-10(3)14-16-11(12)4/h8-9,15H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyDNYUUYHSRFXKAL-IUCAKERBSA-N
MW223.32 g/mol
LogP2.94
Rot. Bonds1

About trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol

trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol (PubChem CID 5325759) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol
PubChem CID5325759
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nametrans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol
SMILESCc1noc(C)c1C1(O)[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C13H21NO2/c1-8-6-5-7-9(2)13(8,15)12-10(3)14-16-11(12)4/h8-9,15H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyDNYUUYHSRFXKAL-IUCAKERBSA-N
XLogP2.94
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

1-(3,5-Dimethyl-4-isoxazolyl)cyclododecanol
CID 3574794
3-Cyclohexyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 15121508
3-Propyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime
CID 5407249
5-Cyclopropyl-3-methyl-1,2-oxazole-4-carboxylic acid
CID 28275750
2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone
CID 573494
5-methyl-3-propyl-1,2-oxazole-4-carboxylic Acid
CID 2727349
3-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 304261
3-Cyclopentyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 64157623
N-(3-pentadecyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
CID 2728884
[5-Cyclopropyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-4-yl]methanol
CID 68031387
(5-cyclopropyl-3-((1S,2S)-2-(trifluoromethyl)cyclohexyl) isoxazol-4-yl)methanol
CID 68031448
[5-cyclopropyl-3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-4-yl]methanol
CID 89823426

Frequently Asked Questions

What is the IUPAC name of trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol?
The IUPAC name of trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol (CID 5325759) is trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol?
The canonical SMILES for trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol is Cc1noc(C)c1C1(O)[C@@H](C)CCC[C@@H]1C.
What is the InChIKey of trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol?
The InChIKey is DNYUUYHSRFXKAL-IUCAKERBSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8-6-5-7-9(2)13(8,15)12-10(3)14-16-11(12)4/h8-9,15H,5-7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol?
trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,6S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 5325759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).