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

C9H15NO2 — CID 170283144

IUPAC(5-pentan-2-yl-1,2-oxazol-3-yl)methanol
SMILESCCCC(C)c1cc(CO)no1
InChIInChI=1S/C9H15NO2/c1-3-4-7(2)9-5-8(6-11)10-12-9/h5,7,11H,3-4,6H2,1-2H3
InChIKeyLYZYPADJCOUERG-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.07
Rot. Bonds4

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

(5-pentan-2-yl-1,2-oxazol-3-yl)methanol (PubChem CID 170283144) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (5-pentan-2-yl-1,2-oxazol-3-yl)methanol.

Molecular Properties

Compound Name(5-pentan-2-yl-1,2-oxazol-3-yl)methanol
PubChem CID170283144
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(5-pentan-2-yl-1,2-oxazol-3-yl)methanol
SMILESCCCC(C)c1cc(CO)no1
InChIInChI=1S/C9H15NO2/c1-3-4-7(2)9-5-8(6-11)10-12-9/h5,7,11H,3-4,6H2,1-2H3
InChIKeyLYZYPADJCOUERG-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-pentan-2-yl-1,2-oxazol-3-yl)methanol?
The IUPAC name of (5-pentan-2-yl-1,2-oxazol-3-yl)methanol (CID 170283144) is (5-pentan-2-yl-1,2-oxazol-3-yl)methanol.
What is the SMILES notation for (5-pentan-2-yl-1,2-oxazol-3-yl)methanol?
The canonical SMILES for (5-pentan-2-yl-1,2-oxazol-3-yl)methanol is CCCC(C)c1cc(CO)no1.
What is the InChIKey of (5-pentan-2-yl-1,2-oxazol-3-yl)methanol?
The InChIKey is LYZYPADJCOUERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-7(2)9-5-8(6-11)10-12-9/h5,7,11H,3-4,6H2,1-2H3.
What are the key properties of (5-pentan-2-yl-1,2-oxazol-3-yl)methanol?
(5-pentan-2-yl-1,2-oxazol-3-yl)methanol has a molecular weight of 169.22 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pentan-2-yl-1,2-oxazol-3-yl)methanol is sourced from PubChem (CID 170283144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).