(3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol

C13H25NO2 — CID 11053382

IUPAC(3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol
SMILESCCCCCCCCCC1=NOCC1CO
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-13-12(10-15)11-16-14-13/h12,15H,2-11H2,1H3
InChIKeyCQQSQMHQVNBLJX-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.12
Rot. Bonds9

About (3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol

(3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol (PubChem CID 11053382) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol
PubChem CID11053382
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol
SMILESCCCCCCCCCC1=NOCC1CO
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-13-12(10-15)11-16-14-13/h12,15H,2-11H2,1H3
InChIKeyCQQSQMHQVNBLJX-UHFFFAOYSA-N
XLogP3.12
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.12
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-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol?
The IUPAC name of (3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol (CID 11053382) is (3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol.
What is the SMILES notation for (3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol?
The canonical SMILES for (3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol is CCCCCCCCCC1=NOCC1CO.
What is the InChIKey of (3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol?
The InChIKey is CQQSQMHQVNBLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-13-12(10-15)11-16-14-13/h12,15H,2-11H2,1H3.
What are the key properties of (3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol?
(3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol has a molecular weight of 227.35 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nonyl-4,5-dihydro-1,2-oxazol-4-yl)methanol is sourced from PubChem (CID 11053382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).