2-phenoxy-4,5-dihydro-1,3-oxazole

C9H9NO2 — CID 23021983

IUPAC2-phenoxy-4,5-dihydro-1,3-oxazole
SMILESc1ccc(OC2=NCCO2)cc1
InChIInChI=1S/C9H9NO2/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-5H,6-7H2
InChIKeyDFRAMGWZBJUEAK-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.45
Rot. Bonds1

About 2-phenoxy-4,5-dihydro-1,3-oxazole

2-phenoxy-4,5-dihydro-1,3-oxazole (PubChem CID 23021983) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-phenoxy-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-phenoxy-4,5-dihydro-1,3-oxazole
PubChem CID23021983
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-phenoxy-4,5-dihydro-1,3-oxazole
SMILESc1ccc(OC2=NCCO2)cc1
InChIInChI=1S/C9H9NO2/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-5H,6-7H2
InChIKeyDFRAMGWZBJUEAK-UHFFFAOYSA-N
XLogP1.45
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-phenoxy-4,5-dihydro-1,3-oxazole (CID 23021983) is 2-phenoxy-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-phenoxy-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-phenoxy-4,5-dihydro-1,3-oxazole is c1ccc(OC2=NCCO2)cc1.
What is the InChIKey of 2-phenoxy-4,5-dihydro-1,3-oxazole?
The InChIKey is DFRAMGWZBJUEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-5H,6-7H2.
What are the key properties of 2-phenoxy-4,5-dihydro-1,3-oxazole?
2-phenoxy-4,5-dihydro-1,3-oxazole has a molecular weight of 163.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 23021983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).