3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole

C15H13NO — CID 174685517

IUPAC3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(-c2cccc(C3=NOCC3)c2)cc1
InChIInChI=1S/C15H13NO/c1-2-5-12(6-3-1)13-7-4-8-14(11-13)15-9-10-17-16-15/h1-8,11H,9-10H2
InChIKeyULYOMGOEGRIHRP-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.48
Rot. Bonds2

About 3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole

3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 174685517) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID174685517
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(-c2cccc(C3=NOCC3)c2)cc1
InChIInChI=1S/C15H13NO/c1-2-5-12(6-3-1)13-7-4-8-14(11-13)15-9-10-17-16-15/h1-8,11H,9-10H2
InChIKeyULYOMGOEGRIHRP-UHFFFAOYSA-N
XLogP3.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole (CID 174685517) is 3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole is c1ccc(-c2cccc(C3=NOCC3)c2)cc1.
What is the InChIKey of 3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is ULYOMGOEGRIHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-2-5-12(6-3-1)13-7-4-8-14(11-13)15-9-10-17-16-15/h1-8,11H,9-10H2.
What are the key properties of 3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole?
3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 223.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 174685517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).