2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile

C21H18FN3O2 — CID 171773651

IUPAC2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(CC3CNCCO3)c2-c2cocn2)cc1F
InChIInChI=1S/C21H18FN3O2/c22-19-9-14(4-5-16(19)10-23)18-3-1-2-15(8-17-11-24-6-7-27-17)21(18)20-12-26-13-25-20/h1-5,9,12-13,17,24H,6-8,11H2
InChIKeyOELNNQBPGBSAHJ-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.55
Rot. Bonds4

About 2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile

2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile (PubChem CID 171773651) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile
PubChem CID171773651
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(CC3CNCCO3)c2-c2cocn2)cc1F
InChIInChI=1S/C21H18FN3O2/c22-19-9-14(4-5-16(19)10-23)18-3-1-2-15(8-17-11-24-6-7-27-17)21(18)20-12-26-13-25-20/h1-5,9,12-13,17,24H,6-8,11H2
InChIKeyOELNNQBPGBSAHJ-UHFFFAOYSA-N
XLogP3.55
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-4-[2-(4-fluoro-1,3-oxazol-5-yl)-3-[[(2R)-morpholin-2-yl]methyl]phenyl]benzonitrile
CID 171773521
2-fluoro-4-[3-[[(2S)-morpholin-2-yl]methyl]-2-(1,2-thiazol-5-yl)phenyl]benzonitrile
CID 171773685
2-fluoro-4-[2-(4-methyl-2,3-dihydro-1,2-thiazol-5-yl)-3-(morpholin-2-ylmethyl)phenyl]benzonitrile
CID 175639082
2-fluoro-4-[4-fluoro-2-(3-methyl-2H-1,3-thiazol-5-yl)-3-(morpholin-2-ylmethyl)phenyl]benzonitrile
CID 171831492
2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile
CID 171773374
4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-5-(morpholin-2-ylmethyl)phenyl]-2-fluorobenzonitrile
CID 171773588
4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile
CID 171773543
2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107118745
2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile
CID 107119032
2-fluoro-N-methyl-4-[5-(morpholin-2-ylmethyl)-2-[4-(oxolan-2-yl)piperidin-1-yl]phenyl]benzonitrilium
CID 171831623
2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile (CID 171773651) is 2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile is N#Cc1ccc(-c2cccc(CC3CNCCO3)c2-c2cocn2)cc1F.
What is the InChIKey of 2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile?
The InChIKey is OELNNQBPGBSAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-19-9-14(4-5-16(19)10-23)18-3-1-2-15(8-17-11-24-6-7-27-17)21(18)20-12-26-13-25-20/h1-5,9,12-13,17,24H,6-8,11H2.
What are the key properties of 2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile?
2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile has a molecular weight of 363.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile is sourced from PubChem (CID 171773651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).