5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

C15H10FN3O2 — CID 664351

IUPAC5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCc1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2/c16-11-5-3-10(4-6-11)9-18-14-12(8-17)19-15(21-14)13-2-1-7-20-13/h1-7,18H,9H2
InChIKeyBINUMOPTLUZTGS-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.56
Rot. Bonds4

About 5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 664351) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID664351
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCc1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2/c16-11-5-3-10(4-6-11)9-18-14-12(8-17)19-15(21-14)13-2-1-7-20-13/h1-7,18H,9H2
InChIKeyBINUMOPTLUZTGS-UHFFFAOYSA-N
XLogP3.56
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 664351) is 5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1NCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is BINUMOPTLUZTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-11-5-3-10(4-6-11)9-18-14-12(8-17)19-15(21-14)13-2-1-7-20-13/h1-7,18H,9H2.
What are the key properties of 5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 283.26 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).