5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide

C19H18N6O3 — CID 130313949

About 5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide

5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 130313949) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 130313949
• Molecular Formula: C19H18N6O3
• Molecular Weight: 378.39 g/mol
• Exact Mass: 378.14
• IUPAC Name: 5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide
• SMILES: CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)o2)CCc2nccnc21
• InChI: InChI=1S/C19H18N6O3/c1-25-16-13(20-9-10-21-16)7-8-14(19(25)27)22-17(26)18-24-23-15(28-18)11-12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,11H2,1H3,(H,22,26)/t14-/m0/s1
• InChIKey: URZNVFZXUMAFNY-AWEZNQCLSA-N
• XLogP: 1.16
• TPSA: 114.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.39
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of 5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide (CID 130313949) is 5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for 5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for 5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide is CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)o2)CCc2nccnc21.

What is the InChIKey of 5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is URZNVFZXUMAFNY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-25-16-13(20-9-10-21-16)7-8-14(19(25)27)22-17(26)18-24-23-15(28-18)11-12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,11H2,1H3,(H,22,26)/t14-/m0/s1.

What are the key properties of 5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide?

5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 130313949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).