N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C30H40F2N10O4S2 — CID 158309703

About N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 158309703) has the molecular formula C30H40F2N10O4S2 and a molecular weight of 706.85 g/mol. Its IUPAC name is N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 158309703
• Molecular Formula: C30H40F2N10O4S2
• Molecular Weight: 706.85 g/mol
• Exact Mass: 706.26
• IUPAC Name: N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc(F)c(CN2C[C@@H](Cc3noc(C)n3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Cc3noc(C)n3)C[C@@H]2C)s1
• InChI: InChI=1S/2C15H20FN5O2S/c2*1-8-4-11(5-13-18-10(3)23-20-13)6-21(8)7-12-14(16)19-15(24-12)17-9(2)22/h2*8,11H,4-7H2,1-3H3,(H,17,19,22)/t8-,11+;8-,11-/m00/s1
• InChIKey: GNNKORJQCIJKQQ-MAGZUVCXSA-N
• XLogP: 4.77
• TPSA: 168.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.85
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 158309703) is N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2C[C@@H](Cc3noc(C)n3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Cc3noc(C)n3)C[C@@H]2C)s1.

What is the InChIKey of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is GNNKORJQCIJKQQ-MAGZUVCXSA-N. The full InChI is InChI=1S/2C15H20FN5O2S/c2*1-8-4-11(5-13-18-10(3)23-20-13)6-21(8)7-12-14(16)19-15(24-12)17-9(2)22/h2*8,11H,4-7H2,1-3H3,(H,17,19,22)/t8-,11+;8-,11-/m00/s1.

What are the key properties of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 706.85 g/mol, XLogP of 4.77, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 158309703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).