2-chloro-4-phenyl-1,3-oxazole;fluorobenzene

C15H11ClFNO — CID 21408523

IUPAC2-chloro-4-phenyl-1,3-oxazole;fluorobenzene
SMILESClc1nc(-c2ccccc2)co1.Fc1ccccc1
InChIInChI=1S/C9H6ClNO.C6H5F/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-6H;1-5H
InChIKeyUNIXHSKQJGFLPX-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.82
Rot. Bonds1

About 2-chloro-4-phenyl-1,3-oxazole;fluorobenzene

2-chloro-4-phenyl-1,3-oxazole;fluorobenzene (PubChem CID 21408523) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-chloro-4-phenyl-1,3-oxazole;fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-phenyl-1,3-oxazole;fluorobenzene
PubChem CID21408523
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name2-chloro-4-phenyl-1,3-oxazole;fluorobenzene
SMILESClc1nc(-c2ccccc2)co1.Fc1ccccc1
InChIInChI=1S/C9H6ClNO.C6H5F/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-6H;1-5H
InChIKeyUNIXHSKQJGFLPX-UHFFFAOYSA-N
XLogP4.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-1,3-oxazole;fluorobenzene?
The IUPAC name of 2-chloro-4-phenyl-1,3-oxazole;fluorobenzene (CID 21408523) is 2-chloro-4-phenyl-1,3-oxazole;fluorobenzene.
What is the SMILES notation for 2-chloro-4-phenyl-1,3-oxazole;fluorobenzene?
The canonical SMILES for 2-chloro-4-phenyl-1,3-oxazole;fluorobenzene is Clc1nc(-c2ccccc2)co1.Fc1ccccc1.
What is the InChIKey of 2-chloro-4-phenyl-1,3-oxazole;fluorobenzene?
The InChIKey is UNIXHSKQJGFLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO.C6H5F/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-6H;1-5H.
What are the key properties of 2-chloro-4-phenyl-1,3-oxazole;fluorobenzene?
2-chloro-4-phenyl-1,3-oxazole;fluorobenzene has a molecular weight of 275.71 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-1,3-oxazole;fluorobenzene is sourced from PubChem (CID 21408523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).