1,1'-biphenyl;4,5-dihydro-1,3-oxazole

C15H15NO — CID 18473876

IUPAC1,1'-biphenyl;4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H5NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-5-3-4-1/h1-10H;3H,1-2H2
InChIKeyYEBXJRBNPTUQKG-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.40
Rot. Bonds1

About 1,1'-biphenyl;4,5-dihydro-1,3-oxazole

1,1'-biphenyl;4,5-dihydro-1,3-oxazole (PubChem CID 18473876) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1,1'-biphenyl;4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name1,1'-biphenyl;4,5-dihydro-1,3-oxazole
PubChem CID18473876
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1,1'-biphenyl;4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H5NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-5-3-4-1/h1-10H;3H,1-2H2
InChIKeyYEBXJRBNPTUQKG-UHFFFAOYSA-N
XLogP3.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;4,5-dihydro-1,3-oxazole?
The IUPAC name of 1,1'-biphenyl;4,5-dihydro-1,3-oxazole (CID 18473876) is 1,1'-biphenyl;4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 1,1'-biphenyl;4,5-dihydro-1,3-oxazole?
The canonical SMILES for 1,1'-biphenyl;4,5-dihydro-1,3-oxazole is C1=NCCO1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;4,5-dihydro-1,3-oxazole?
The InChIKey is YEBXJRBNPTUQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C3H5NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-5-3-4-1/h1-10H;3H,1-2H2.
What are the key properties of 1,1'-biphenyl;4,5-dihydro-1,3-oxazole?
1,1'-biphenyl;4,5-dihydro-1,3-oxazole has a molecular weight of 225.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 18473876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).