2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile

C15H15FN4O2 — CID 154753351

IUPAC2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile
SMILESCO[C@H]1C[C@H](c2nnc(C)o2)N(c2cccc(F)c2C#N)C1
InChIInChI=1S/C15H15FN4O2/c1-9-18-19-15(22-9)14-6-10(21-2)8-20(14)13-5-3-4-12(16)11(13)7-17/h3-5,10,14H,6,8H2,1-2H3/t10-,14+/m0/s1
InChIKeyAQZIPGZWCQUBLG-IINYFYTJSA-N
MW302.31 g/mol
LogP2.36
Rot. Bonds3

About 2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile

2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile (PubChem CID 154753351) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile
PubChem CID154753351
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile
SMILESCO[C@H]1C[C@H](c2nnc(C)o2)N(c2cccc(F)c2C#N)C1
InChIInChI=1S/C15H15FN4O2/c1-9-18-19-15(22-9)14-6-10(21-2)8-20(14)13-5-3-4-12(16)11(13)7-17/h3-5,10,14H,6,8H2,1-2H3/t10-,14+/m0/s1
InChIKeyAQZIPGZWCQUBLG-IINYFYTJSA-N
XLogP2.36
TPSA75.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile (CID 154753351) is 2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile is CO[C@H]1C[C@H](c2nnc(C)o2)N(c2cccc(F)c2C#N)C1.
What is the InChIKey of 2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile?
The InChIKey is AQZIPGZWCQUBLG-IINYFYTJSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-9-18-19-15(22-9)14-6-10(21-2)8-20(14)13-5-3-4-12(16)11(13)7-17/h3-5,10,14H,6,8H2,1-2H3/t10-,14+/m0/s1.
What are the key properties of 2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile?
2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile has a molecular weight of 302.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 154753351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).