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

C18H14FN3O — CID 7124190

IUPAC2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1NCc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O/c19-15-8-6-14(7-9-15)12-21-18-16(11-20)22-17(23-18)10-13-4-2-1-3-5-13/h1-9,21H,10,12H2
InChIKeyZSDDSLCZGDRHOY-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.89
Rot. Bonds5

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

2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile (PubChem CID 7124190) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile
PubChem CID7124190
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1NCc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O/c19-15-8-6-14(7-9-15)12-21-18-16(11-20)22-17(23-18)10-13-4-2-1-3-5-13/h1-9,21H,10,12H2
InChIKeyZSDDSLCZGDRHOY-UHFFFAOYSA-N
XLogP3.89
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile (CID 7124190) is 2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile is N#Cc1nc(Cc2ccccc2)oc1NCc1ccc(F)cc1.
What is the InChIKey of 2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile?
The InChIKey is ZSDDSLCZGDRHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c19-15-8-6-14(7-9-15)12-21-18-16(11-20)22-17(23-18)10-13-4-2-1-3-5-13/h1-9,21H,10,12H2.
What are the key properties of 2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile?
2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile has a molecular weight of 307.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 7124190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).