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

C8H13NO2 — CID 12920234

IUPAC[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol
SMILESCC(C)Cc1cc(CO)on1
InChIInChI=1S/C8H13NO2/c1-6(2)3-7-4-8(5-10)11-9-7/h4,6,10H,3,5H2,1-2H3
InChIKeyPFZOTJPIMHFDHO-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.37
Rot. Bonds3

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

[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol (PubChem CID 12920234) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol
PubChem CID12920234
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol
SMILESCC(C)Cc1cc(CO)on1
InChIInChI=1S/C8H13NO2/c1-6(2)3-7-4-8(5-10)11-9-7/h4,6,10H,3,5H2,1-2H3
InChIKeyPFZOTJPIMHFDHO-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol (CID 12920234) is [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol is CC(C)Cc1cc(CO)on1.
What is the InChIKey of [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol?
The InChIKey is PFZOTJPIMHFDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)3-7-4-8(5-10)11-9-7/h4,6,10H,3,5H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol?
[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol has a molecular weight of 155.20 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 12920234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).