2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole

C15H11NO — CID 174622186

IUPAC2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(c1)-c1cccc(C3=NCCO3)c1-2
InChIInChI=1S/C15H11NO/c1-2-5-11-10(4-1)12-6-3-7-13(14(11)12)15-16-8-9-17-15/h1-7H,8-9H2
InChIKeyCLINVGYCOVUTHI-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.11
Rot. Bonds1

About 2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole

2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole (PubChem CID 174622186) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole
PubChem CID174622186
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(c1)-c1cccc(C3=NCCO3)c1-2
InChIInChI=1S/C15H11NO/c1-2-5-11-10(4-1)12-6-3-7-13(14(11)12)15-16-8-9-17-15/h1-7H,8-9H2
InChIKeyCLINVGYCOVUTHI-UHFFFAOYSA-N
XLogP3.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole (CID 174622186) is 2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole is c1ccc2c(c1)-c1cccc(C3=NCCO3)c1-2.
What is the InChIKey of 2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is CLINVGYCOVUTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c1-2-5-11-10(4-1)12-6-3-7-13(14(11)12)15-16-8-9-17-15/h1-7H,8-9H2.
What are the key properties of 2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole?
2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 221.26 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 174622186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).