3-(1,2-oxazol-4-ylmethyl)pentan-2-ol

C9H15NO2 — CID 79424055

IUPAC3-(1,2-oxazol-4-ylmethyl)pentan-2-ol
SMILESCCC(Cc1cnoc1)C(C)O
InChIInChI=1S/C9H15NO2/c1-3-9(7(2)11)4-8-5-10-12-6-8/h5-7,9,11H,3-4H2,1-2H3
InChIKeyABXHNVVTKHGKFS-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.62
Rot. Bonds4

About 3-(1,2-oxazol-4-ylmethyl)pentan-2-ol

3-(1,2-oxazol-4-ylmethyl)pentan-2-ol (PubChem CID 79424055) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-(1,2-oxazol-4-ylmethyl)pentan-2-ol.

Molecular Properties

Compound Name3-(1,2-oxazol-4-ylmethyl)pentan-2-ol
PubChem CID79424055
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-(1,2-oxazol-4-ylmethyl)pentan-2-ol
SMILESCCC(Cc1cnoc1)C(C)O
InChIInChI=1S/C9H15NO2/c1-3-9(7(2)11)4-8-5-10-12-6-8/h5-7,9,11H,3-4H2,1-2H3
InChIKeyABXHNVVTKHGKFS-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-4-ylmethyl)pentan-2-ol?
The IUPAC name of 3-(1,2-oxazol-4-ylmethyl)pentan-2-ol (CID 79424055) is 3-(1,2-oxazol-4-ylmethyl)pentan-2-ol.
What is the SMILES notation for 3-(1,2-oxazol-4-ylmethyl)pentan-2-ol?
The canonical SMILES for 3-(1,2-oxazol-4-ylmethyl)pentan-2-ol is CCC(Cc1cnoc1)C(C)O.
What is the InChIKey of 3-(1,2-oxazol-4-ylmethyl)pentan-2-ol?
The InChIKey is ABXHNVVTKHGKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-9(7(2)11)4-8-5-10-12-6-8/h5-7,9,11H,3-4H2,1-2H3.
What are the key properties of 3-(1,2-oxazol-4-ylmethyl)pentan-2-ol?
3-(1,2-oxazol-4-ylmethyl)pentan-2-ol has a molecular weight of 169.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-4-ylmethyl)pentan-2-ol is sourced from PubChem (CID 79424055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).