3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile

C19H16FN3O — CID 86931123

IUPAC3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H16FN3O/c1-23(11-15-5-2-4-14(8-15)10-21)12-18-13-24-19(22-18)16-6-3-7-17(20)9-16/h2-9,13H,11-12H2,1H3
InChIKeyHAUIDALHZTZKHD-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.98
Rot. Bonds5

About 3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile

3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile (PubChem CID 86931123) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile
PubChem CID86931123
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H16FN3O/c1-23(11-15-5-2-4-14(8-15)10-21)12-18-13-24-19(22-18)16-6-3-7-17(20)9-16/h2-9,13H,11-12H2,1H3
InChIKeyHAUIDALHZTZKHD-UHFFFAOYSA-N
XLogP3.98
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide
CID 34062443
3-[[(6-hydrazinyl-2-pyridinyl)methyl-methylamino]methyl]benzonitrile
CID 79232014
1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62016330
3-[4-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]benzonitrile
CID 65287867
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2,6-dimethylpyrimidine-5-carbonitrile
CID 33358983
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 54942854
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
CID 56662465
1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile
CID 33347435
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methylphenyl)methanamine
CID 56661858
N-benzyl-2-ethoxy-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56675601
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile
CID 61370835
3-[[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983081

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile (CID 86931123) is 3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile is CN(Cc1cccc(C#N)c1)Cc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of 3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile?
The InChIKey is HAUIDALHZTZKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-23(11-15-5-2-4-14(8-15)10-21)12-18-13-24-19(22-18)16-6-3-7-17(20)9-16/h2-9,13H,11-12H2,1H3.
What are the key properties of 3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile?
3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile has a molecular weight of 321.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile is sourced from PubChem (CID 86931123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).