oxolane;3-phenyl-1,2-oxazole

C13H15NO2 — CID 174347006

IUPACoxolane;3-phenyl-1,2-oxazole
SMILESC1CCOC1.c1ccc(-c2ccon2)cc1
InChIInChI=1S/C9H7NO.C4H8O/c1-2-4-8(5-3-1)9-6-7-11-10-9;1-2-4-5-3-1/h1-7H;1-4H2
InChIKeyZBFZWCWEDCHPPD-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.14
Rot. Bonds1

About oxolane;3-phenyl-1,2-oxazole

oxolane;3-phenyl-1,2-oxazole (PubChem CID 174347006) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is oxolane;3-phenyl-1,2-oxazole.

Molecular Properties

Compound Nameoxolane;3-phenyl-1,2-oxazole
PubChem CID174347006
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameoxolane;3-phenyl-1,2-oxazole
SMILESC1CCOC1.c1ccc(-c2ccon2)cc1
InChIInChI=1S/C9H7NO.C4H8O/c1-2-4-8(5-3-1)9-6-7-11-10-9;1-2-4-5-3-1/h1-7H;1-4H2
InChIKeyZBFZWCWEDCHPPD-UHFFFAOYSA-N
XLogP3.14
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolane;3-phenyl-1,2-oxazole?
The IUPAC name of oxolane;3-phenyl-1,2-oxazole (CID 174347006) is oxolane;3-phenyl-1,2-oxazole.
What is the SMILES notation for oxolane;3-phenyl-1,2-oxazole?
The canonical SMILES for oxolane;3-phenyl-1,2-oxazole is C1CCOC1.c1ccc(-c2ccon2)cc1.
What is the InChIKey of oxolane;3-phenyl-1,2-oxazole?
The InChIKey is ZBFZWCWEDCHPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C4H8O/c1-2-4-8(5-3-1)9-6-7-11-10-9;1-2-4-5-3-1/h1-7H;1-4H2.
What are the key properties of oxolane;3-phenyl-1,2-oxazole?
oxolane;3-phenyl-1,2-oxazole has a molecular weight of 217.27 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;3-phenyl-1,2-oxazole is sourced from PubChem (CID 174347006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).