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

C11H13NO2 — CID 142936230

IUPAC(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol
SMILESCc1oc(C2=CCCC=C2)nc1CO
InChIInChI=1S/C11H13NO2/c1-8-10(7-13)12-11(14-8)9-5-3-2-4-6-9/h3,5-6,13H,2,4,7H2,1H3
InChIKeyPLCADRULUUHANV-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.21
Rot. Bonds2

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

(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol (PubChem CID 142936230) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol
PubChem CID142936230
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol
SMILESCc1oc(C2=CCCC=C2)nc1CO
InChIInChI=1S/C11H13NO2/c1-8-10(7-13)12-11(14-8)9-5-3-2-4-6-9/h3,5-6,13H,2,4,7H2,1H3
InChIKeyPLCADRULUUHANV-UHFFFAOYSA-N
XLogP2.21
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1E,3E)-3-fluoro-4-methylhexa-1,3,5-trienyl]-4-methyl-1,3-oxazol-5-yl]ethanol
CID 142210041
3-[[2-(4-Fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
CID 142936361
[4-methyl-2-[(2E,4Z)-7,7,7-trifluorohepta-2,4-dien-3-yl]-1,3-oxazol-5-yl]methanol
CID 143640551
[2-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1,3-oxazol-4-yl]methanol
CID 144223673
[5-Propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol
CID 170147160
(2E,4E)-4-[5-methyl-4-[(1E)-2-(trifluoromethyl)penta-1,3-dienyl]-1,3-oxazol-2-yl]hepta-2,4,6-trien-3-ol
CID 173472453
1-[5-Methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol
CID 20730371
4,5-dimethyl-2-[(E,4Z)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-1,3-oxazole
CID 71034978
2-Cyclohepta-1,4,6-trien-1-yl-4,5-dimethyl-1,3-oxazole
CID 141910093
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

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol?
The IUPAC name of (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol (CID 142936230) is (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol.
What is the SMILES notation for (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol?
The canonical SMILES for (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol is 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?
The InChIKey is PLCADRULUUHANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-10(7-13)12-11(14-8)9-5-3-2-4-6-9/h3,5-6,13H,2,4,7H2,1H3.
What are the key properties of (2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol?
(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol has a molecular weight of 191.23 g/mol, XLogP of 2.21, 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 is sourced from PubChem (CID 142936230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).