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

C19H21N7O3 — CID 74577351

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

1-(3-methoxyphenyl)-3-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea (PubChem CID 74577351) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea.

Molecular Properties

• Compound Name: 1-(3-methoxyphenyl)-3-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
• PubChem CID: 74577351
• Molecular Formula: C19H21N7O3
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.17
• IUPAC Name: 1-(3-methoxyphenyl)-3-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
• SMILES: COc1cccc(NC(=O)NC2CC(c3nc(-c4cnccn4)no3)N(C)C2)c1
• InChI: InChI=1S/C19H21N7O3/c1-26-11-13(23-19(27)22-12-4-3-5-14(8-12)28-2)9-16(26)18-24-17(25-29-18)15-10-20-6-7-21-15/h3-8,10,13,16H,9,11H2,1-2H3,(H2,22,23,27)
• InChIKey: PUTOMFAKFIPNHP-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 118.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(3-methoxyphenyl)-3-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea (CID 74577351) is 1-(3-methoxyphenyl)-3-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea.

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

The canonical SMILES for 1-(3-methoxyphenyl)-3-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea is COc1cccc(NC(=O)NC2CC(c3nc(-c4cnccn4)no3)N(C)C2)c1.

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

The InChIKey is PUTOMFAKFIPNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c1-26-11-13(23-19(27)22-12-4-3-5-14(8-12)28-2)9-16(26)18-24-17(25-29-18)15-10-20-6-7-21-15/h3-8,10,13,16H,9,11H2,1-2H3,(H2,22,23,27).

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

1-(3-methoxyphenyl)-3-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea has a molecular weight of 395.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methoxyphenyl)-3-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 74577351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).