1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate

C20H18N4O3S — CID 75466663

About 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate (PubChem CID 75466663) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate
• PubChem CID: 75466663
• Molecular Formula: C20H18N4O3S
• Molecular Weight: 394.46 g/mol
• Exact Mass: 394.11
• IUPAC Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate
• SMILES: Cc1ccc(-c2nnc(C(C)OC(=O)c3cc(-c4ccc(C)s4)[nH]n3)o2)cc1
• InChI: InChI=1S/C20H18N4O3S/c1-11-4-7-14(8-5-11)19-24-23-18(27-19)13(3)26-20(25)16-10-15(21-22-16)17-9-6-12(2)28-17/h4-10,13H,1-3H3,(H,21,22)
• InChIKey: KJEPRPNJTQPXIS-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.46
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate?

The IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate (CID 75466663) is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate.

What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate?

The canonical SMILES for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate is Cc1ccc(-c2nnc(C(C)OC(=O)c3cc(-c4ccc(C)s4)[nH]n3)o2)cc1.

What is the InChIKey of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate?

The InChIKey is KJEPRPNJTQPXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-11-4-7-14(8-5-11)19-24-23-18(27-19)13(3)26-20(25)16-10-15(21-22-16)17-9-6-12(2)28-17/h4-10,13H,1-3H3,(H,21,22).

What are the key properties of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate?

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate has a molecular weight of 394.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 75466663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).