(3-butan-2-yl-1,2-oxazol-5-yl)methanol

C8H13NO2 — CID 12920236

IUPAC(3-butan-2-yl-1,2-oxazol-5-yl)methanol
SMILESCCC(C)c1cc(CO)on1
InChIInChI=1S/C8H13NO2/c1-3-6(2)8-4-7(5-10)11-9-8/h4,6,10H,3,5H2,1-2H3
InChIKeyOFBXXZSBAJISDR-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.68
Rot. Bonds3

About (3-butan-2-yl-1,2-oxazol-5-yl)methanol

(3-butan-2-yl-1,2-oxazol-5-yl)methanol (PubChem CID 12920236) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3-butan-2-yl-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-butan-2-yl-1,2-oxazol-5-yl)methanol
PubChem CID12920236
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3-butan-2-yl-1,2-oxazol-5-yl)methanol
SMILESCCC(C)c1cc(CO)on1
InChIInChI=1S/C8H13NO2/c1-3-6(2)8-4-7(5-10)11-9-8/h4,6,10H,3,5H2,1-2H3
InChIKeyOFBXXZSBAJISDR-UHFFFAOYSA-N
XLogP1.68
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yl-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-butan-2-yl-1,2-oxazol-5-yl)methanol (CID 12920236) is (3-butan-2-yl-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-butan-2-yl-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-butan-2-yl-1,2-oxazol-5-yl)methanol is CCC(C)c1cc(CO)on1.
What is the InChIKey of (3-butan-2-yl-1,2-oxazol-5-yl)methanol?
The InChIKey is OFBXXZSBAJISDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-6(2)8-4-7(5-10)11-9-8/h4,6,10H,3,5H2,1-2H3.
What are the key properties of (3-butan-2-yl-1,2-oxazol-5-yl)methanol?
(3-butan-2-yl-1,2-oxazol-5-yl)methanol has a molecular weight of 155.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yl-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 12920236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).