2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile

C16H14FN5O — CID 118984745

IUPAC2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1NCCCn1ccnc1
InChIInChI=1S/C16H14FN5O/c17-13-5-2-1-4-12(13)15-21-14(10-18)16(23-15)20-6-3-8-22-9-7-19-11-22/h1-2,4-5,7,9,11,20H,3,6,8H2
InChIKeyXRXRNXNGXHJCBW-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.05
Rot. Bonds6

About 2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile

2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 118984745) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile
PubChem CID118984745
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1NCCCn1ccnc1
InChIInChI=1S/C16H14FN5O/c17-13-5-2-1-4-12(13)15-21-14(10-18)16(23-15)20-6-3-8-22-9-7-19-11-22/h1-2,4-5,7,9,11,20H,3,6,8H2
InChIKeyXRXRNXNGXHJCBW-UHFFFAOYSA-N
XLogP3.05
TPSA79.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-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 2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile (CID 118984745) is 2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2F)oc1NCCCn1ccnc1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is XRXRNXNGXHJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c17-13-5-2-1-4-12(13)15-21-14(10-18)16(23-15)20-6-3-8-22-9-7-19-11-22/h1-2,4-5,7,9,11,20H,3,6,8H2.
What are the key properties of 2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile?
2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 311.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 118984745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).