5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide

C17H22N4O3 — CID 146110443

About 5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide

5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide (PubChem CID 146110443) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 146110443
• Molecular Formula: C17H22N4O3
• Molecular Weight: 330.39 g/mol
• Exact Mass: 330.17
• IUPAC Name: 5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide
• SMILES: O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ncoc1C1CCC1
• InChI: InChI=1S/C17H22N4O3/c22-14-7-11(8-21-5-4-18-9-21)6-13(14)20-17(23)15-16(24-10-19-15)12-2-1-3-12/h4-5,9-14,22H,1-3,6-8H2,(H,20,23)/t11?,13-,14-/m1/s1
• InChIKey: GZQGHQNELWMFEO-HIDCPEKUSA-N
• XLogP: 1.71
• TPSA: 93.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.39
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide (CID 146110443) is 5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for 5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ncoc1C1CCC1.

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

The InChIKey is GZQGHQNELWMFEO-HIDCPEKUSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-14-7-11(8-21-5-4-18-9-21)6-13(14)20-17(23)15-16(24-10-19-15)12-2-1-3-12/h4-5,9-14,22H,1-3,6-8H2,(H,20,23)/t11?,13-,14-/m1/s1.

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

5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 146110443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).