1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea

C17H19N7O3 — CID 97453495

About 1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea

1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea (PubChem CID 97453495) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
• PubChem CID: 97453495
• Molecular Formula: C17H19N7O3
• Molecular Weight: 369.39 g/mol
• Exact Mass: 369.15
• IUPAC Name: 1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
• SMILES: Cc1nc(-c2cccc(NC(=O)NCc3noc([C@H]4CCCO4)n3)c2)n[nH]1
• InChI: InChI=1S/C17H19N7O3/c1-10-19-15(23-22-10)11-4-2-5-12(8-11)20-17(25)18-9-14-21-16(27-24-14)13-6-3-7-26-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H2,18,20,25)(H,19,22,23)/t13-/m1/s1
• InChIKey: OANAZMDGMHSRIT-CYBMUJFWSA-N
• XLogP: 2.34
• TPSA: 130.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.39
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea?

The IUPAC name of 1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea (CID 97453495) is 1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea.

What is the SMILES notation for 1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea?

The canonical SMILES for 1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea is Cc1nc(-c2cccc(NC(=O)NCc3noc([C@H]4CCCO4)n3)c2)n[nH]1.

What is the InChIKey of 1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea?

The InChIKey is OANAZMDGMHSRIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-10-19-15(23-22-10)11-4-2-5-12(8-11)20-17(25)18-9-14-21-16(27-24-14)13-6-3-7-26-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H2,18,20,25)(H,19,22,23)/t13-/m1/s1.

What are the key properties of 1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea?

1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea has a molecular weight of 369.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea is sourced from PubChem (CID 97453495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).