N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide

C23H23N3O3S — CID 132666684

About N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide

N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (PubChem CID 132666684) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.

Molecular Properties

• Compound Name: N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
• PubChem CID: 132666684
• Molecular Formula: C23H23N3O3S
• Molecular Weight: 421.52 g/mol
• Exact Mass: 421.15
• IUPAC Name: N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
• SMILES: CCC(Oc1cccc2ccccc12)C(=O)N(CC)Cc1nc(-c2cccs2)no1
• InChI: InChI=1S/C23H23N3O3S/c1-3-18(28-19-12-7-10-16-9-5-6-11-17(16)19)23(27)26(4-2)15-21-24-22(25-29-21)20-13-8-14-30-20/h5-14,18H,3-4,15H2,1-2H3
• InChIKey: ZIMNJKFWUGUPOX-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.52
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?

The IUPAC name of N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (CID 132666684) is N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.

What is the SMILES notation for N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?

The canonical SMILES for N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is CCC(Oc1cccc2ccccc12)C(=O)N(CC)Cc1nc(-c2cccs2)no1.

What is the InChIKey of N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?

The InChIKey is ZIMNJKFWUGUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-3-18(28-19-12-7-10-16-9-5-6-11-17(16)19)23(27)26(4-2)15-21-24-22(25-29-21)20-13-8-14-30-20/h5-14,18H,3-4,15H2,1-2H3.

What are the key properties of N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?

N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide has a molecular weight of 421.52 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 132666684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).