2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile

C19H23FN4O — CID 71928385

IUPAC2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile
SMILESCCc1cnc(CN(C)C2CCN(Cc3ccc(F)cc3C#N)C2)o1
InChIInChI=1S/C19H23FN4O/c1-3-18-10-22-19(25-18)13-23(2)17-6-7-24(12-17)11-14-4-5-16(20)8-15(14)9-21/h4-5,8,10,17H,3,6-7,11-13H2,1-2H3
InChIKeyRODJXZQFASVRDC-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.95
Rot. Bonds6

About 2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile

2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile (PubChem CID 71928385) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile
PubChem CID71928385
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile
SMILESCCc1cnc(CN(C)C2CCN(Cc3ccc(F)cc3C#N)C2)o1
InChIInChI=1S/C19H23FN4O/c1-3-18-10-22-19(25-18)13-23(2)17-6-7-24(12-17)11-14-4-5-16(20)8-15(14)9-21/h4-5,8,10,17H,3,6-7,11-13H2,1-2H3
InChIKeyRODJXZQFASVRDC-UHFFFAOYSA-N
XLogP2.95
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile with MolForge

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Related Compounds

2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile
CID 97008212
N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 154801217
(2S)-2-[[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 100858845
3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide
CID 96512219
2-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-fluorobenzonitrile
CID 79868700
5-fluoro-2-[[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methyl]benzonitrile
CID 97236443
1-[(2-cyano-4-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63289430
5-fluoro-2-[(4-formylpiperidin-1-yl)methyl]benzonitrile
CID 55170778
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide
CID 96512271
5-fluoro-2-[[(3S)-3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]methyl]benzonitrile
CID 97076768
5-fluoro-2-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 86771061
(3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 97073405

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile?
The IUPAC name of 2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile (CID 71928385) is 2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile?
The canonical SMILES for 2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile is CCc1cnc(CN(C)C2CCN(Cc3ccc(F)cc3C#N)C2)o1.
What is the InChIKey of 2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile?
The InChIKey is RODJXZQFASVRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-3-18-10-22-19(25-18)13-23(2)17-6-7-24(12-17)11-14-4-5-16(20)8-15(14)9-21/h4-5,8,10,17H,3,6-7,11-13H2,1-2H3.
What are the key properties of 2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile?
2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile has a molecular weight of 342.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile is sourced from PubChem (CID 71928385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).