1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea

C19H26N6O2 — CID 25338500

About 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea

1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea (PubChem CID 25338500) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
• PubChem CID: 25338500
• Molecular Formula: C19H26N6O2
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.21
• IUPAC Name: 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
• SMILES: CN1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2cccnc2)no1
• InChI: InChI=1S/C19H26N6O2/c1-25-12-15(22-19(26)21-14-7-3-2-4-8-14)10-16(25)18-23-17(24-27-18)13-6-5-9-20-11-13/h5-6,9,11,14-16H,2-4,7-8,10,12H2,1H3,(H2,21,22,26)/t15-,16-/m0/s1
• InChIKey: LVCDGLCTUUELPV-HOTGVXAUSA-N
• XLogP: 2.51
• TPSA: 96.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?

The IUPAC name of 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea (CID 25338500) is 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea.

What is the SMILES notation for 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?

The canonical SMILES for 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea is CN1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2cccnc2)no1.

What is the InChIKey of 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?

The InChIKey is LVCDGLCTUUELPV-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-25-12-15(22-19(26)21-14-7-3-2-4-8-14)10-16(25)18-23-17(24-27-18)13-6-5-9-20-11-13/h5-6,9,11,14-16H,2-4,7-8,10,12H2,1H3,(H2,21,22,26)/t15-,16-/m0/s1.

What are the key properties of 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?

1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea has a molecular weight of 370.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 25338500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).