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

C7H11NO2 — CID 25220768

IUPAC(5-propan-2-yl-1,2-oxazol-3-yl)methanol
SMILESCC(C)c1cc(CO)no1
InChIInChI=1S/C7H11NO2/c1-5(2)7-3-6(4-9)8-10-7/h3,5,9H,4H2,1-2H3
InChIKeyFUQOVKGUDYTDCX-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.29
Rot. Bonds2

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

(5-propan-2-yl-1,2-oxazol-3-yl)methanol (PubChem CID 25220768) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (5-propan-2-yl-1,2-oxazol-3-yl)methanol.

Molecular Properties

Compound Name(5-propan-2-yl-1,2-oxazol-3-yl)methanol
PubChem CID25220768
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(5-propan-2-yl-1,2-oxazol-3-yl)methanol
SMILESCC(C)c1cc(CO)no1
InChIInChI=1S/C7H11NO2/c1-5(2)7-3-6(4-9)8-10-7/h3,5,9H,4H2,1-2H3
InChIKeyFUQOVKGUDYTDCX-UHFFFAOYSA-N
XLogP1.29
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1,2-oxazol-3-yl)methanol?
The IUPAC name of (5-propan-2-yl-1,2-oxazol-3-yl)methanol (CID 25220768) is (5-propan-2-yl-1,2-oxazol-3-yl)methanol.
What is the SMILES notation for (5-propan-2-yl-1,2-oxazol-3-yl)methanol?
The canonical SMILES for (5-propan-2-yl-1,2-oxazol-3-yl)methanol is CC(C)c1cc(CO)no1.
What is the InChIKey of (5-propan-2-yl-1,2-oxazol-3-yl)methanol?
The InChIKey is FUQOVKGUDYTDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(2)7-3-6(4-9)8-10-7/h3,5,9H,4H2,1-2H3.
What are the key properties of (5-propan-2-yl-1,2-oxazol-3-yl)methanol?
(5-propan-2-yl-1,2-oxazol-3-yl)methanol has a molecular weight of 141.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1,2-oxazol-3-yl)methanol is sourced from PubChem (CID 25220768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).