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

C9H15NO2 — CID 12045694

IUPAC(3-pentyl-1,2-oxazol-5-yl)methanol
SMILESCCCCCc1cc(CO)on1
InChIInChI=1S/C9H15NO2/c1-2-3-4-5-8-6-9(7-11)12-10-8/h6,11H,2-5,7H2,1H3
InChIKeyBYPHPXRMNPROTB-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.90
Rot. Bonds5

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

(3-pentyl-1,2-oxazol-5-yl)methanol (PubChem CID 12045694) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3-pentyl-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-pentyl-1,2-oxazol-5-yl)methanol
PubChem CID12045694
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3-pentyl-1,2-oxazol-5-yl)methanol
SMILESCCCCCc1cc(CO)on1
InChIInChI=1S/C9H15NO2/c1-2-3-4-5-8-6-9(7-11)12-10-8/h6,11H,2-5,7H2,1H3
InChIKeyBYPHPXRMNPROTB-UHFFFAOYSA-N
XLogP1.90
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-pentyl-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-pentyl-1,2-oxazol-5-yl)methanol (CID 12045694) is (3-pentyl-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-pentyl-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-pentyl-1,2-oxazol-5-yl)methanol is CCCCCc1cc(CO)on1.
What is the InChIKey of (3-pentyl-1,2-oxazol-5-yl)methanol?
The InChIKey is BYPHPXRMNPROTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-4-5-8-6-9(7-11)12-10-8/h6,11H,2-5,7H2,1H3.
What are the key properties of (3-pentyl-1,2-oxazol-5-yl)methanol?
(3-pentyl-1,2-oxazol-5-yl)methanol has a molecular weight of 169.22 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentyl-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 12045694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).