N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine

C17H16N6OS — CID 91830312

About N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine

N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine (PubChem CID 91830312) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine.

Molecular Properties

• Compound Name: N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine
• PubChem CID: 91830312
• Molecular Formula: C17H16N6OS
• Molecular Weight: 352.42 g/mol
• Exact Mass: 352.11
• IUPAC Name: N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine
• SMILES: CN(Cc1cc(-c2cccs2)n[nH]1)Cc1nnc(-c2cccnc2)o1
• InChI: InChI=1S/C17H16N6OS/c1-23(10-13-8-14(20-19-13)15-5-3-7-25-15)11-16-21-22-17(24-16)12-4-2-6-18-9-12/h2-9H,10-11H2,1H3,(H,19,20)
• InChIKey: BRYYHLLRLTUBFG-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 83.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.42
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine?

The IUPAC name of N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine (CID 91830312) is N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine.

What is the SMILES notation for N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine?

The canonical SMILES for N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine is CN(Cc1cc(-c2cccs2)n[nH]1)Cc1nnc(-c2cccnc2)o1.

What is the InChIKey of N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine?

The InChIKey is BRYYHLLRLTUBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-23(10-13-8-14(20-19-13)15-5-3-7-25-15)11-16-21-22-17(24-16)12-4-2-6-18-9-12/h2-9H,10-11H2,1H3,(H,19,20).

What are the key properties of N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine?

N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine has a molecular weight of 352.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 91830312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).