(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane

C17H25NO2 — CID 142936229

IUPAC(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane
SMILESC1CCCCC1.Cc1oc(C2=CCCC=C2)nc1CO
InChIInChI=1S/C11H13NO2.C6H12/c1-8-10(7-13)12-11(14-8)9-5-3-2-4-6-9;1-2-4-6-5-3-1/h3,5-6,13H,2,4,7H2,1H3;1-6H2
InChIKeyHTNQXTVSRNTUJO-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.55
Rot. Bonds2

About (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane

(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane (PubChem CID 142936229) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane.

Molecular Properties

Compound Name(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane
PubChem CID142936229
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane
SMILESC1CCCCC1.Cc1oc(C2=CCCC=C2)nc1CO
InChIInChI=1S/C11H13NO2.C6H12/c1-8-10(7-13)12-11(14-8)9-5-3-2-4-6-9;1-2-4-6-5-3-1/h3,5-6,13H,2,4,7H2,1H3;1-6H2
InChIKeyHTNQXTVSRNTUJO-UHFFFAOYSA-N
XLogP4.55
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(4-Fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
CID 142936361
(E)-2-ethyl-4-[(1R,3S)-3-[[2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxybut-2-enoic acid
CID 142936460
(E)-2-ethyl-4-[3-[[2-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxybut-2-enoic acid
CID 142936492
[(2Z)-1-[4-[[(1S,3R)-3-hydroxycyclohexyl]oxymethyl]-5-methyl-1,3-oxazol-2-yl]penta-2,4-dienylidene]tungsten
CID 59659173
2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol
CID 142101919
2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene
CID 142209959
2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol
CID 142209964
(1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol
CID 142839556
3-[[3-[(2-Cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methoxy]cyclohexen-1-yl]methylsulfanyl]prop-1-en-2-ol
CID 163489532
[(2Z)-1-[4-[[(1S,3R)-3-hydroxycyclohexyl]oxymethyl]-5-methyl-1,3-oxazol-2-yl]penta-2,4-dienylidene]tungsten
CID 59659174
(2-Cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol
CID 142936230
[2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 142936316

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane?
The IUPAC name of (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane (CID 142936229) is (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane.
What is the SMILES notation for (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane?
The canonical SMILES for (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane is C1CCCCC1.Cc1oc(C2=CCCC=C2)nc1CO.
What is the InChIKey of (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane?
The InChIKey is HTNQXTVSRNTUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C6H12/c1-8-10(7-13)12-11(14-8)9-5-3-2-4-6-9;1-2-4-6-5-3-1/h3,5-6,13H,2,4,7H2,1H3;1-6H2.
What are the key properties of (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane?
(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane has a molecular weight of 275.39 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane is sourced from PubChem (CID 142936229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).