1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea

C18H20N6O3 — CID 125164773

About 1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea

1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea (PubChem CID 125164773) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea.

Molecular Properties

• Compound Name: 1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea
• PubChem CID: 125164773
• Molecular Formula: C18H20N6O3
• Molecular Weight: 368.40 g/mol
• Exact Mass: 368.16
• IUPAC Name: 1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea
• SMILES: O=C(NCCc1noc([C@H]2CCCO2)n1)Nc1ccccc1-n1cccn1
• InChI: InChI=1S/C18H20N6O3/c25-18(21-13-5-1-2-6-14(13)24-11-4-9-20-24)19-10-8-16-22-17(27-23-16)15-7-3-12-26-15/h1-2,4-6,9,11,15H,3,7-8,10,12H2,(H2,19,21,25)/t15-/m1/s1
• InChIKey: GCNYUWZQMZMKAC-OAHLLOKOSA-N
• XLogP: 2.47
• TPSA: 107.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.40
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea?

The IUPAC name of 1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea (CID 125164773) is 1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea.

What is the SMILES notation for 1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea?

The canonical SMILES for 1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea is O=C(NCCc1noc([C@H]2CCCO2)n1)Nc1ccccc1-n1cccn1.

What is the InChIKey of 1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea?

The InChIKey is GCNYUWZQMZMKAC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N6O3/c25-18(21-13-5-1-2-6-14(13)24-11-4-9-20-24)19-10-8-16-22-17(27-23-16)15-7-3-12-26-15/h1-2,4-6,9,11,15H,3,7-8,10,12H2,(H2,19,21,25)/t15-/m1/s1.

What are the key properties of 1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea?

1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea has a molecular weight of 368.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 125164773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).