N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide

C22H22N6O2 — CID 67705602

About N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide

N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide (PubChem CID 67705602) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide
• PubChem CID: 67705602
• Molecular Formula: C22H22N6O2
• Molecular Weight: 402.46 g/mol
• Exact Mass: 402.18
• IUPAC Name: N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide
• SMILES: CC1C/C(=N\C(=O)C2CC2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)O1
• InChI: InChI=1S/C22H22N6O2/c1-14-12-20(23-22(29)17-10-11-17)28(30-14)13-15-6-8-16(9-7-15)18-4-2-3-5-19(18)21-24-26-27-25-21/h2-9,14,17H,10-13H2,1H3,(H,24,25,26,27)/b23-20+
• InChIKey: BCUBFRNKLGLJLC-BSYVCWPDSA-N
• XLogP: 3.39
• TPSA: 96.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.46
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide?

The IUPAC name of N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide (CID 67705602) is N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide?

The canonical SMILES for N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide is CC1C/C(=N\C(=O)C2CC2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)O1.

What is the InChIKey of N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide?

The InChIKey is BCUBFRNKLGLJLC-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-14-12-20(23-22(29)17-10-11-17)28(30-14)13-15-6-8-16(9-7-15)18-4-2-3-5-19(18)21-24-26-27-25-21/h2-9,14,17H,10-13H2,1H3,(H,24,25,26,27)/b23-20+.

What are the key properties of N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide?

N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazolidin-3-ylidene]cyclopropanecarboxamide is sourced from PubChem (CID 67705602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).