N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide

C23H18N6O3S — CID 71296642

About N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide

N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 71296642) has the molecular formula C23H18N6O3S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 71296642
• Molecular Formula: C23H18N6O3S
• Molecular Weight: 458.50 g/mol
• Exact Mass: 458.12
• IUPAC Name: N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: O=C(CCc1nc(CSc2nnc(-c3ccncc3)o2)no1)Nc1cccc2ccccc12
• InChI: InChI=1S/C23H18N6O3S/c30-20(25-18-7-3-5-15-4-1-2-6-17(15)18)8-9-21-26-19(29-32-21)14-33-23-28-27-22(31-23)16-10-12-24-13-11-16/h1-7,10-13H,8-9,14H2,(H,25,30)
• InChIKey: JKBMYTYMLZVZFE-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 119.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.50
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 71296642) is N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(CSc2nnc(-c3ccncc3)o2)no1)Nc1cccc2ccccc12.

What is the InChIKey of N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is JKBMYTYMLZVZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3S/c30-20(25-18-7-3-5-15-4-1-2-6-17(15)18)8-9-21-26-19(29-32-21)14-33-23-28-27-22(31-23)16-10-12-24-13-11-16/h1-7,10-13H,8-9,14H2,(H,25,30).

What are the key properties of N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?

N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 458.50 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 71296642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).