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

C16H23N5O3 — CID 96520156

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

1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 96520156) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
• PubChem CID: 96520156
• Molecular Formula: C16H23N5O3
• Molecular Weight: 333.39 g/mol
• Exact Mass: 333.18
• IUPAC Name: 1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
• SMILES: Cc1cc(CNC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)no1
• InChI: InChI=1S/C16H23N5O3/c1-10-8-13(20-23-10)9-17-16(22)18-11(2)15-19-14(21-24-15)12-6-4-3-5-7-12/h8,11-12H,3-7,9H2,1-2H3,(H2,17,18,22)/t11-/m1/s1
• InChIKey: UPILOYCOARODFE-LLVKDONJSA-N
• XLogP: 2.97
• TPSA: 106.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.39
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 96520156) is 1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

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

The canonical SMILES for 1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CNC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)no1.

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

The InChIKey is UPILOYCOARODFE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10-8-13(20-23-10)9-17-16(22)18-11(2)15-19-14(21-24-15)12-6-4-3-5-7-12/h8,11-12H,3-7,9H2,1-2H3,(H2,17,18,22)/t11-/m1/s1.

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

1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 333.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 96520156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).