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

C18H25N7O2 — CID 28960641

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

1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea (PubChem CID 28960641) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
• PubChem CID: 28960641
• Molecular Formula: C18H25N7O2
• Molecular Weight: 371.45 g/mol
• Exact Mass: 371.21
• IUPAC Name: 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
• SMILES: CN1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2cnccn2)no1
• InChI: InChI=1S/C18H25N7O2/c1-25-11-13(22-18(26)21-12-5-3-2-4-6-12)9-15(25)17-23-16(24-27-17)14-10-19-7-8-20-14/h7-8,10,12-13,15H,2-6,9,11H2,1H3,(H2,21,22,26)/t13-,15-/m0/s1
• InChIKey: KQJNQRBVUHFBNC-ZFWWWQNUSA-N
• XLogP: 1.90
• TPSA: 109.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.45
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea (CID 28960641) is 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-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-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?

The canonical SMILES for 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea is CN1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2cnccn2)no1.

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

The InChIKey is KQJNQRBVUHFBNC-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-25-11-13(22-18(26)21-12-5-3-2-4-6-12)9-15(25)17-23-16(24-27-17)14-10-19-7-8-20-14/h7-8,10,12-13,15H,2-6,9,11H2,1H3,(H2,21,22,26)/t13-,15-/m0/s1.

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

1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea has a molecular weight of 371.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 28960641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).