4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide

C19H20N6O3 — CID 25338790

About 4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide

4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide (PubChem CID 25338790) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide
• PubChem CID: 25338790
• Molecular Formula: C19H20N6O3
• Molecular Weight: 380.41 g/mol
• Exact Mass: 380.16
• IUPAC Name: 4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide
• SMILES: COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4cncnc4)no3)N(C)C2)cc1
• InChI: InChI=1S/C19H20N6O3/c1-25-10-14(22-18(26)12-3-5-15(27-2)6-4-12)7-16(25)19-23-17(24-28-19)13-8-20-11-21-9-13/h3-6,8-9,11,14,16H,7,10H2,1-2H3,(H,22,26)/t14-,16-/m0/s1
• InChIKey: MCVBQJADFGFQMT-HOCLYGCPSA-N
• XLogP: 1.71
• TPSA: 106.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.41
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide?

The IUPAC name of 4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide (CID 25338790) is 4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide.

What is the SMILES notation for 4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide?

The canonical SMILES for 4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide is COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4cncnc4)no3)N(C)C2)cc1.

What is the InChIKey of 4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide?

The InChIKey is MCVBQJADFGFQMT-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-25-10-14(22-18(26)12-3-5-15(27-2)6-4-12)7-16(25)19-23-17(24-28-19)13-8-20-11-21-9-13/h3-6,8-9,11,14,16H,7,10H2,1-2H3,(H,22,26)/t14-,16-/m0/s1.

What are the key properties of 4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide?

4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 380.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[(3S,5S)-1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 25338790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).