N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol

C36H40N10O5 — CID 158488004

About N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol

N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol (PubChem CID 158488004) has the molecular formula C36H40N10O5 and a molecular weight of 692.78 g/mol. Its IUPAC name is N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol.

Molecular Properties

• Compound Name: N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol
• PubChem CID: 158488004
• Molecular Formula: C36H40N10O5
• Molecular Weight: 692.78 g/mol
• Exact Mass: 692.32
• IUPAC Name: N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol
• SMILES: C[C@@H](O)c1cn(C2CC(NC(=O)c3cc(-c4ccccc4)on3)C2)nn1.C[C@@H](O)c1cnnn1C1CC(NCc2cc(-c3ccccc3)on2)C1
• InChI: InChI=1S/C18H19N5O3.C18H21N5O2/c1-11(24)16-10-23(22-20-16)14-7-13(8-14)19-18(25)15-9-17(26-21-15)12-5-3-2-4-6-12;1-12(24)17-11-20-22-23(17)16-7-14(8-16)19-10-15-9-18(25-21-15)13-5-3-2-4-6-13/h2-6,9-11,13-14,24H,7-8H2,1H3,(H,19,25);2-6,9,11-12,14,16,19,24H,7-8,10H2,1H3/t11-,13?,14?;12-,14?,16?/m11/s1
• InChIKey: HIINIYRZNOZAPN-VCBFIEOJSA-N
• XLogP: 4.60
• TPSA: 195.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.78
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol?

The IUPAC name of N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol (CID 158488004) is N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol.

What is the SMILES notation for N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol?

The canonical SMILES for N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol is C[C@@H](O)c1cn(C2CC(NC(=O)c3cc(-c4ccccc4)on3)C2)nn1.C[C@@H](O)c1cnnn1C1CC(NCc2cc(-c3ccccc3)on2)C1.

What is the InChIKey of N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol?

The InChIKey is HIINIYRZNOZAPN-VCBFIEOJSA-N. The full InChI is InChI=1S/C18H19N5O3.C18H21N5O2/c1-11(24)16-10-23(22-20-16)14-7-13(8-14)19-18(25)15-9-17(26-21-15)12-5-3-2-4-6-12;1-12(24)17-11-20-22-23(17)16-7-14(8-16)19-10-15-9-18(25-21-15)13-5-3-2-4-6-13/h2-6,9-11,13-14,24H,7-8H2,1H3,(H,19,25);2-6,9,11-12,14,16,19,24H,7-8,10H2,1H3/t11-,13?,14?;12-,14?,16?/m11/s1.

What are the key properties of N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol?

N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol has a molecular weight of 692.78 g/mol, XLogP of 4.60, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide;(1R)-1-[3-[3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclobutyl]triazol-4-yl]ethanol is sourced from PubChem (CID 158488004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).