2-(3-heptyl-1,2-oxazol-5-yl)ethanol

C12H21NO2 — CID 65017895

IUPAC2-(3-heptyl-1,2-oxazol-5-yl)ethanol
SMILESCCCCCCCc1cc(CCO)on1
InChIInChI=1S/C12H21NO2/c1-2-3-4-5-6-7-11-10-12(8-9-14)15-13-11/h10,14H,2-9H2,1H3
InChIKeyVXDKPZFCJRRLIL-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.72
Rot. Bonds8

About 2-(3-heptyl-1,2-oxazol-5-yl)ethanol

2-(3-heptyl-1,2-oxazol-5-yl)ethanol (PubChem CID 65017895) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(3-heptyl-1,2-oxazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-heptyl-1,2-oxazol-5-yl)ethanol
PubChem CID65017895
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(3-heptyl-1,2-oxazol-5-yl)ethanol
SMILESCCCCCCCc1cc(CCO)on1
InChIInChI=1S/C12H21NO2/c1-2-3-4-5-6-7-11-10-12(8-9-14)15-13-11/h10,14H,2-9H2,1H3
InChIKeyVXDKPZFCJRRLIL-UHFFFAOYSA-N
XLogP2.72
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.72
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 2-(3-heptyl-1,2-oxazol-5-yl)ethanol?
The IUPAC name of 2-(3-heptyl-1,2-oxazol-5-yl)ethanol (CID 65017895) is 2-(3-heptyl-1,2-oxazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-heptyl-1,2-oxazol-5-yl)ethanol?
The canonical SMILES for 2-(3-heptyl-1,2-oxazol-5-yl)ethanol is CCCCCCCc1cc(CCO)on1.
What is the InChIKey of 2-(3-heptyl-1,2-oxazol-5-yl)ethanol?
The InChIKey is VXDKPZFCJRRLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-3-4-5-6-7-11-10-12(8-9-14)15-13-11/h10,14H,2-9H2,1H3.
What are the key properties of 2-(3-heptyl-1,2-oxazol-5-yl)ethanol?
2-(3-heptyl-1,2-oxazol-5-yl)ethanol has a molecular weight of 211.30 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-heptyl-1,2-oxazol-5-yl)ethanol is sourced from PubChem (CID 65017895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).