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

C9H15NO3 — CID 66643582

IUPAC[5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol
SMILESCc1onc(OCC(C)C)c1CO
InChIInChI=1S/C9H15NO3/c1-6(2)5-12-9-8(4-11)7(3)13-10-9/h6,11H,4-5H2,1-3H3
InChIKeyADINXOXIQZVKLQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.51
Rot. Bonds4

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

[5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol (PubChem CID 66643582) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is [5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol
PubChem CID66643582
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name[5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol
SMILESCc1onc(OCC(C)C)c1CO
InChIInChI=1S/C9H15NO3/c1-6(2)5-12-9-8(4-11)7(3)13-10-9/h6,11H,4-5H2,1-3H3
InChIKeyADINXOXIQZVKLQ-UHFFFAOYSA-N
XLogP1.51
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid
CID 104875222
4-ethyl-3-methoxy-5-methyl-1,2-oxazole
CID 122546056
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
CID 82128657
(2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid
CID 7020311
(2S)-2-azaniumyl-3-[3-(carboxylatomethoxy)-5-methyl-1,2-oxazol-4-yl]propanoate
CID 7020310
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(2-methylpropoxy)pyrazin-2-amine
CID 84585556
5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199654
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28781588
[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 82371295
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 79242225
[3-(3-ethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82128981

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol (CID 66643582) is [5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol is Cc1onc(OCC(C)C)c1CO.
What is the InChIKey of [5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol?
The InChIKey is ADINXOXIQZVKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)5-12-9-8(4-11)7(3)13-10-9/h6,11H,4-5H2,1-3H3.
What are the key properties of [5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol?
[5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol has a molecular weight of 185.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(2-methylpropoxy)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 66643582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).