(2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide

C15H22FN7O2 — CID 129475245

IUPAC(2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H](C)n2cncn2)no1
InChIInChI=1S/C15H22FN7O2/c1-10(23-9-17-8-18-23)15(24)21(3)6-13-4-12(16)5-22(13)7-14-19-11(2)25-20-14/h8-10,12-13H,4-7H2,1-3H3/t10-,12-,13-/m0/s1
InChIKeyIUMBYYITFGAPJR-DRZSPHRISA-N
MW351.39 g/mol
LogP0.60
Rot. Bonds6

About (2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 129475245) has the molecular formula C15H22FN7O2 and a molecular weight of 351.39 g/mol. Its IUPAC name is (2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID129475245
Molecular FormulaC15H22FN7O2
Molecular Weight351.39 g/mol
Exact Mass351.18
IUPAC Name(2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H](C)n2cncn2)no1
InChIInChI=1S/C15H22FN7O2/c1-10(23-9-17-8-18-23)15(24)21(3)6-13-4-12(16)5-22(13)7-14-19-11(2)25-20-14/h8-10,12-13H,4-7H2,1-3H3/t10-,12-,13-/m0/s1
InChIKeyIUMBYYITFGAPJR-DRZSPHRISA-N
XLogP0.60
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide (CID 129475245) is (2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H](C)n2cncn2)no1.
What is the InChIKey of (2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is IUMBYYITFGAPJR-DRZSPHRISA-N. The full InChI is InChI=1S/C15H22FN7O2/c1-10(23-9-17-8-18-23)15(24)21(3)6-13-4-12(16)5-22(13)7-14-19-11(2)25-20-14/h8-10,12-13H,4-7H2,1-3H3/t10-,12-,13-/m0/s1.
What are the key properties of (2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 351.39 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 129475245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).