4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile

C16H17FN4O2 — CID 128986927

IUPAC4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile
SMILESCc1noc([C@@H]2[C@@H](C)OCCN2Cc2cc(C#N)ccc2F)n1
InChIInChI=1S/C16H17FN4O2/c1-10-15(16-19-11(2)20-23-16)21(5-6-22-10)9-13-7-12(8-18)3-4-14(13)17/h3-4,7,10,15H,5-6,9H2,1-2H3/t10-,15+/m1/s1
InChIKeyRNSGHNPBDLKRCQ-BMIGLBTASA-N
MW316.34 g/mol
LogP2.35
Rot. Bonds3

About 4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile

4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile (PubChem CID 128986927) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile
PubChem CID128986927
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile
SMILESCc1noc([C@@H]2[C@@H](C)OCCN2Cc2cc(C#N)ccc2F)n1
InChIInChI=1S/C16H17FN4O2/c1-10-15(16-19-11(2)20-23-16)21(5-6-22-10)9-13-7-12(8-18)3-4-14(13)17/h3-4,7,10,15H,5-6,9H2,1-2H3/t10-,15+/m1/s1
InChIKeyRNSGHNPBDLKRCQ-BMIGLBTASA-N
XLogP2.35
TPSA75.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile with MolForge

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Related Compounds

(2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
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3-[(2,6-dimethylpiperidin-1-yl)methyl]-4-fluorobenzonitrile
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3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-fluorobenzonitrile
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4-fluoro-3-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzonitrile
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4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]benzonitrile
CID 24693249
(2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128987013

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile (CID 128986927) is 4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile is Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2cc(C#N)ccc2F)n1.
What is the InChIKey of 4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile?
The InChIKey is RNSGHNPBDLKRCQ-BMIGLBTASA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-10-15(16-19-11(2)20-23-16)21(5-6-22-10)9-13-7-12(8-18)3-4-14(13)17/h3-4,7,10,15H,5-6,9H2,1-2H3/t10-,15+/m1/s1.
What are the key properties of 4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile?
4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile has a molecular weight of 316.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 128986927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).