[5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol

C12H15NO2 — CID 142936483

IUPAC[5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol
SMILESCC1=CC(c2nc(CO)c(C)o2)=CCC1
InChIInChI=1S/C12H15NO2/c1-8-4-3-5-10(6-8)12-13-11(7-14)9(2)15-12/h5-6,14H,3-4,7H2,1-2H3
InChIKeyYXPSOZVGACFCEV-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.60
Rot. Bonds2

About [5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol

[5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol (PubChem CID 142936483) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol
PubChem CID142936483
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol
SMILESCC1=CC(c2nc(CO)c(C)o2)=CCC1
InChIInChI=1S/C12H15NO2/c1-8-4-3-5-10(6-8)12-13-11(7-14)9(2)15-12/h5-6,14H,3-4,7H2,1-2H3
InChIKeyYXPSOZVGACFCEV-UHFFFAOYSA-N
XLogP2.60
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.60
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
1-[5-Methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol
CID 20730371
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
(2-Cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane
CID 142936229
2-(4-Methoxycyclohepta-1,3,6-trien-1-yl)-4,5-dimethyl-1,3-oxazole
CID 143542788

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol (CID 142936483) is [5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol is CC1=CC(c2nc(CO)c(C)o2)=CCC1.
What is the InChIKey of [5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol?
The InChIKey is YXPSOZVGACFCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-4-3-5-10(6-8)12-13-11(7-14)9(2)15-12/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of [5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol?
[5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol has a molecular weight of 205.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 142936483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).