3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide

C18H21FN4O4 — CID 155917710

About 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide

3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide (PubChem CID 155917710) has the molecular formula C18H21FN4O4 and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide
• PubChem CID: 155917710
• Molecular Formula: C18H21FN4O4
• Molecular Weight: 376.39 g/mol
• Exact Mass: 376.15
• IUPAC Name: 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide
• SMILES: Cc1nc(CNC(=O)[C@H]2CC[C@H](NC(=O)c3cccc(F)c3)[C@@H](O)C2)no1
• InChI: InChI=1S/C18H21FN4O4/c1-10-21-16(23-27-10)9-20-17(25)12-5-6-14(15(24)8-12)22-18(26)11-3-2-4-13(19)7-11/h2-4,7,12,14-15,24H,5-6,8-9H2,1H3,(H,20,25)(H,22,26)/t12-,14-,15-/m0/s1
• InChIKey: DRFIWYWDEXWJJE-QEJZJMRPSA-N
• XLogP: 1.09
• TPSA: 117.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.39
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide?

The IUPAC name of 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide (CID 155917710) is 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide.

What is the SMILES notation for 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide?

The canonical SMILES for 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide is Cc1nc(CNC(=O)[C@H]2CC[C@H](NC(=O)c3cccc(F)c3)[C@@H](O)C2)no1.

What is the InChIKey of 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide?

The InChIKey is DRFIWYWDEXWJJE-QEJZJMRPSA-N. The full InChI is InChI=1S/C18H21FN4O4/c1-10-21-16(23-27-10)9-20-17(25)12-5-6-14(15(24)8-12)22-18(26)11-3-2-4-13(19)7-11/h2-4,7,12,14-15,24H,5-6,8-9H2,1H3,(H,20,25)(H,22,26)/t12-,14-,15-/m0/s1.

What are the key properties of 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide?

3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide has a molecular weight of 376.39 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide is sourced from PubChem (CID 155917710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).