(3-tert-butyl-1,2-oxazol-5-yl)methanol

C8H13NO2 — CID 12920232

IUPAC(3-tert-butyl-1,2-oxazol-5-yl)methanol
SMILESCC(C)(C)c1cc(CO)on1
InChIInChI=1S/C8H13NO2/c1-8(2,3)7-4-6(5-10)11-9-7/h4,10H,5H2,1-3H3
InChIKeyQYRFVPCSDYSOLU-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.46
Rot. Bonds1

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

(3-tert-butyl-1,2-oxazol-5-yl)methanol (PubChem CID 12920232) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3-tert-butyl-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-1,2-oxazol-5-yl)methanol
PubChem CID12920232
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3-tert-butyl-1,2-oxazol-5-yl)methanol
SMILESCC(C)(C)c1cc(CO)on1
InChIInChI=1S/C8H13NO2/c1-8(2,3)7-4-6(5-10)11-9-7/h4,10H,5H2,1-3H3
InChIKeyQYRFVPCSDYSOLU-UHFFFAOYSA-N
XLogP1.46
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-tert-butyl-1,2-oxazol-5-yl)methanol (CID 12920232) is (3-tert-butyl-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-tert-butyl-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-tert-butyl-1,2-oxazol-5-yl)methanol is CC(C)(C)c1cc(CO)on1.
What is the InChIKey of (3-tert-butyl-1,2-oxazol-5-yl)methanol?
The InChIKey is QYRFVPCSDYSOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2,3)7-4-6(5-10)11-9-7/h4,10H,5H2,1-3H3.
What are the key properties of (3-tert-butyl-1,2-oxazol-5-yl)methanol?
(3-tert-butyl-1,2-oxazol-5-yl)methanol has a molecular weight of 155.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 12920232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).