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

C9H9NO — CID 840162

IUPAC3-phenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NOCC2)cc1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-5H,6-7H2
InChIKeyUKFPAGCSDWQXFT-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.81
Rot. Bonds1

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

3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 840162) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID840162
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name3-phenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NOCC2)cc1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-5H,6-7H2
InChIKeyUKFPAGCSDWQXFT-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-phenyl-4,5-dihydro-1,2-oxazole (CID 840162) is 3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-phenyl-4,5-dihydro-1,2-oxazole is c1ccc(C2=NOCC2)cc1.
What is the InChIKey of 3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is UKFPAGCSDWQXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-5H,6-7H2.
What are the key properties of 3-phenyl-4,5-dihydro-1,2-oxazole?
3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 147.18 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 840162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).