4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide

C14H15FN6O2 — CID 128990862

About 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide

4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 128990862) has the molecular formula C14H15FN6O2 and a molecular weight of 318.31 g/mol. Its IUPAC name is 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
• PubChem CID: 128990862
• Molecular Formula: C14H15FN6O2
• Molecular Weight: 318.31 g/mol
• Exact Mass: 318.12
• IUPAC Name: 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
• SMILES: Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2cc(C#N)c[nH]2)o1
• InChI: InChI=1S/C14H15FN6O2/c1-8-19-20-14(23-8)21-7-10(15)3-11(21)6-18-13(22)12-2-9(4-16)5-17-12/h2,5,10-11,17H,3,6-7H2,1H3,(H,18,22)/t10-,11-/m0/s1
• InChIKey: XCLULVHMSOCBSP-QWRGUYRKSA-N
• XLogP: 0.92
• TPSA: 110.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.31
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?

The IUPAC name of 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide (CID 128990862) is 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide is Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2cc(C#N)c[nH]2)o1.

What is the InChIKey of 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?

The InChIKey is XCLULVHMSOCBSP-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H15FN6O2/c1-8-19-20-14(23-8)21-7-10(15)3-11(21)6-18-13(22)12-2-9(4-16)5-17-12/h2,5,10-11,17H,3,6-7H2,1H3,(H,18,22)/t10-,11-/m0/s1.

What are the key properties of 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide?

4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 318.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 128990862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).