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

C9H9NO — CID 568817

IUPAC5-phenyl-4,5-dihydro-1,2-oxazole
SMILESC1=NOC(c2ccccc2)C1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-5,7,9H,6H2
InChIKeyUYOWAKYOTZHBRD-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.13
Rot. Bonds1

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

5-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 568817) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID568817
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5-phenyl-4,5-dihydro-1,2-oxazole
SMILESC1=NOC(c2ccccc2)C1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-5,7,9H,6H2
InChIKeyUYOWAKYOTZHBRD-UHFFFAOYSA-N
XLogP2.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-phenyl-4,5-dihydro-1,2-oxazole (CID 568817) is 5-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-phenyl-4,5-dihydro-1,2-oxazole is C1=NOC(c2ccccc2)C1.
What is the InChIKey of 5-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is UYOWAKYOTZHBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-5,7,9H,6H2.
What are the key properties of 5-phenyl-4,5-dihydro-1,2-oxazole?
5-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 147.18 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 568817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).