7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile

C20H20FN3O3 — CID 153399969

IUPAC7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile
SMILESC#N.O=C(CCCCCCc1cc(-c2ccccc2F)on1)c1ccon1
InChIInChI=1S/C19H19FN2O3.CHN/c20-16-9-6-5-8-15(16)19-13-14(21-25-19)7-3-1-2-4-10-18(23)17-11-12-24-22-17;1-2/h5-6,8-9,11-13H,1-4,7,10H2;1H
InChIKeyGIUIYYRQPIDQMB-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.98
Rot. Bonds9

About 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile

7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile (PubChem CID 153399969) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile.

Molecular Properties

Compound Name7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile
PubChem CID153399969
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile
SMILESC#N.O=C(CCCCCCc1cc(-c2ccccc2F)on1)c1ccon1
InChIInChI=1S/C19H19FN2O3.CHN/c20-16-9-6-5-8-15(16)19-13-14(21-25-19)7-3-1-2-4-10-18(23)17-11-12-24-22-17;1-2/h5-6,8-9,11-13H,1-4,7,10H2;1H
InChIKeyGIUIYYRQPIDQMB-UHFFFAOYSA-N
XLogP4.98
TPSA92.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile 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 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile?
The IUPAC name of 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile (CID 153399969) is 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile.
What is the SMILES notation for 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile?
The canonical SMILES for 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile is C#N.O=C(CCCCCCc1cc(-c2ccccc2F)on1)c1ccon1.
What is the InChIKey of 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile?
The InChIKey is GIUIYYRQPIDQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3.CHN/c20-16-9-6-5-8-15(16)19-13-14(21-25-19)7-3-1-2-4-10-18(23)17-11-12-24-22-17;1-2/h5-6,8-9,11-13H,1-4,7,10H2;1H.
What are the key properties of 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile?
7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile has a molecular weight of 369.40 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;formonitrile is sourced from PubChem (CID 153399969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).