5-phenyl-4-propoxy-1,2-oxazole

C12H13NO2 — CID 173144259

IUPAC5-phenyl-4-propoxy-1,2-oxazole
SMILESCCCOc1cnoc1-c1ccccc1
InChIInChI=1S/C12H13NO2/c1-2-8-14-11-9-13-15-12(11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyOJPKEFMQUMMHLY-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.13
Rot. Bonds4

About 5-phenyl-4-propoxy-1,2-oxazole

5-phenyl-4-propoxy-1,2-oxazole (PubChem CID 173144259) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-phenyl-4-propoxy-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-4-propoxy-1,2-oxazole
PubChem CID173144259
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-phenyl-4-propoxy-1,2-oxazole
SMILESCCCOc1cnoc1-c1ccccc1
InChIInChI=1S/C12H13NO2/c1-2-8-14-11-9-13-15-12(11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyOJPKEFMQUMMHLY-UHFFFAOYSA-N
XLogP3.13
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-propoxy-1,2-oxazole?
The IUPAC name of 5-phenyl-4-propoxy-1,2-oxazole (CID 173144259) is 5-phenyl-4-propoxy-1,2-oxazole.
What is the SMILES notation for 5-phenyl-4-propoxy-1,2-oxazole?
The canonical SMILES for 5-phenyl-4-propoxy-1,2-oxazole is CCCOc1cnoc1-c1ccccc1.
What is the InChIKey of 5-phenyl-4-propoxy-1,2-oxazole?
The InChIKey is OJPKEFMQUMMHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-8-14-11-9-13-15-12(11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3.
What are the key properties of 5-phenyl-4-propoxy-1,2-oxazole?
5-phenyl-4-propoxy-1,2-oxazole has a molecular weight of 203.24 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-propoxy-1,2-oxazole is sourced from PubChem (CID 173144259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).