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

C9H15NO2 — CID 114877640

IUPAC[5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol
SMILESCCC(C)Cc1ocnc1CO
InChIInChI=1S/C9H15NO2/c1-3-7(2)4-9-8(5-11)10-6-12-9/h6-7,11H,3-5H2,1-2H3
InChIKeyBRPHYGFNRIZSBK-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.76
Rot. Bonds4

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

[5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol (PubChem CID 114877640) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol
PubChem CID114877640
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol
SMILESCCC(C)Cc1ocnc1CO
InChIInChI=1S/C9H15NO2/c1-3-7(2)4-9-8(5-11)10-6-12-9/h6-7,11H,3-5H2,1-2H3
InChIKeyBRPHYGFNRIZSBK-UHFFFAOYSA-N
XLogP1.76
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol 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

N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114877624
[5-(3-methylbutyl)-1,3-oxazol-4-yl]methanol
CID 79145900
[5-(ethoxymethyl)-1,3-oxazol-4-yl]methanol
CID 79145426
(5-ethoxy-1,3-oxazol-4-yl)methanol
CID 71653314
[5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol
CID 83151884
[5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol
CID 79145888
[5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methanol
CID 79145420
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145263
[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol
CID 103213590
7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
CID 91312537
N-[(5-propyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79146098
[2-(2-methylbutyl)phenyl]methanol
CID 66698085

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol (CID 114877640) is [5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol is CCC(C)Cc1ocnc1CO.
What is the InChIKey of [5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is BRPHYGFNRIZSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7(2)4-9-8(5-11)10-6-12-9/h6-7,11H,3-5H2,1-2H3.
What are the key properties of [5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol?
[5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 169.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 114877640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).