N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide

C16H18F3N3O3 — CID 146110281

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 146110281) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
• PubChem CID: 146110281
• Molecular Formula: C16H18F3N3O3
• Molecular Weight: 357.33 g/mol
• Exact Mass: 357.13
• IUPAC Name: N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
• SMILES: Cc1cc(C(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)c(C(F)(F)F)o1
• InChI: InChI=1S/C16H18F3N3O3/c1-9-4-11(14(25-9)16(17,18)19)15(24)21-12-5-10(6-13(12)23)7-22-3-2-20-8-22/h2-4,8,10,12-13,23H,5-7H2,1H3,(H,21,24)/t10?,12-,13-/m1/s1
• InChIKey: VERWDASTYYHIQX-SKVSWLLESA-N
• XLogP: 2.37
• TPSA: 80.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.33
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?

The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide (CID 146110281) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide.

What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?

The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide is Cc1cc(C(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)c(C(F)(F)F)o1.

What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?

The InChIKey is VERWDASTYYHIQX-SKVSWLLESA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-9-4-11(14(25-9)16(17,18)19)15(24)21-12-5-10(6-13(12)23)7-22-3-2-20-8-22/h2-4,8,10,12-13,23H,5-7H2,1H3,(H,21,24)/t10?,12-,13-/m1/s1.

What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 357.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 146110281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).