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

C9H9NO — CID 14642163

IUPAC3-phenyl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2ccccc2)NOC1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-6,10H,7H2
InChIKeyMGVJSQZSIDKWCQ-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.56
Rot. Bonds1

About 3-phenyl-2,5-dihydro-1,2-oxazole

3-phenyl-2,5-dihydro-1,2-oxazole (PubChem CID 14642163) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 3-phenyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-2,5-dihydro-1,2-oxazole
PubChem CID14642163
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name3-phenyl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2ccccc2)NOC1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-6,10H,7H2
InChIKeyMGVJSQZSIDKWCQ-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-phenyl-2,5-dihydro-1,2-oxazole (CID 14642163) is 3-phenyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-phenyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-phenyl-2,5-dihydro-1,2-oxazole is C1=C(c2ccccc2)NOC1.
What is the InChIKey of 3-phenyl-2,5-dihydro-1,2-oxazole?
The InChIKey is MGVJSQZSIDKWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-6,10H,7H2.
What are the key properties of 3-phenyl-2,5-dihydro-1,2-oxazole?
3-phenyl-2,5-dihydro-1,2-oxazole has a molecular weight of 147.18 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 14642163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).