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

C15H23N5O2S — CID 97066952

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

1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea (PubChem CID 97066952) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea
• PubChem CID: 97066952
• Molecular Formula: C15H23N5O2S
• Molecular Weight: 337.45 g/mol
• Exact Mass: 337.16
• IUPAC Name: 1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea
• SMILES: Cc1nc(CNC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)no1
• InChI: InChI=1S/C15H23N5O2S/c1-8(2)14-17-9(3)13(23-14)10(4)20(6)15(21)16-7-12-18-11(5)22-19-12/h8,10H,7H2,1-6H3,(H,16,21)/t10-/m1/s1
• InChIKey: WJEUOVJYYCXKRZ-SNVBAGLBSA-N
• XLogP: 3.17
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.45
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea (CID 97066952) is 1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea.

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

The canonical SMILES for 1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea is Cc1nc(CNC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)no1.

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

The InChIKey is WJEUOVJYYCXKRZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-8(2)14-17-9(3)13(23-14)10(4)20(6)15(21)16-7-12-18-11(5)22-19-12/h8,10H,7H2,1-6H3,(H,16,21)/t10-/m1/s1.

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

1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea has a molecular weight of 337.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea is sourced from PubChem (CID 97066952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).