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

C18H20N6O4 — CID 97271844

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

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea (PubChem CID 97271844) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea.

Molecular Properties

• Compound Name: 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
• PubChem CID: 97271844
• Molecular Formula: C18H20N6O4
• Molecular Weight: 384.40 g/mol
• Exact Mass: 384.15
• IUPAC Name: 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
• SMILES: Cc1nnc(-c2ccc(NC(=O)NCCc3noc([C@H]4CCCO4)n3)cc2)o1
• InChI: InChI=1S/C18H20N6O4/c1-11-22-23-16(27-11)12-4-6-13(7-5-12)20-18(25)19-9-8-15-21-17(28-24-15)14-3-2-10-26-14/h4-7,14H,2-3,8-10H2,1H3,(H2,19,20,25)/t14-/m1/s1
• InChIKey: CJEYATXOXUWINB-CQSZACIVSA-N
• XLogP: 2.64
• TPSA: 128.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.40
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea (CID 97271844) is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea.

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

The canonical SMILES for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea is Cc1nnc(-c2ccc(NC(=O)NCCc3noc([C@H]4CCCO4)n3)cc2)o1.

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

The InChIKey is CJEYATXOXUWINB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-11-22-23-16(27-11)12-4-6-13(7-5-12)20-18(25)19-9-8-15-21-17(28-24-15)14-3-2-10-26-14/h4-7,14H,2-3,8-10H2,1H3,(H2,19,20,25)/t14-/m1/s1.

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

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea has a molecular weight of 384.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea is sourced from PubChem (CID 97271844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).