1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide

C25H25N3O4 — CID 90504058

About 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide

1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 90504058) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
• PubChem CID: 90504058
• Molecular Formula: C25H25N3O4
• Molecular Weight: 431.49 g/mol
• Exact Mass: 431.18
• IUPAC Name: 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
• SMILES: COc1ccc(-c2cc(C3(C(=O)NCCc4c[nH]c5ccccc45)CC3)no2)cc1OC
• InChI: InChI=1S/C25H25N3O4/c1-30-20-8-7-16(13-22(20)31-2)21-14-23(28-32-21)25(10-11-25)24(29)26-12-9-17-15-27-19-6-4-3-5-18(17)19/h3-8,13-15,27H,9-12H2,1-2H3,(H,26,29)
• InChIKey: DGWPETFQGWWBJG-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 89.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.49
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide (CID 90504058) is 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide is COc1ccc(-c2cc(C3(C(=O)NCCc4c[nH]c5ccccc45)CC3)no2)cc1OC.

What is the InChIKey of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide?

The InChIKey is DGWPETFQGWWBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-30-20-8-7-16(13-22(20)31-2)21-14-23(28-32-21)25(10-11-25)24(29)26-12-9-17-15-27-19-6-4-3-5-18(17)19/h3-8,13-15,27H,9-12H2,1-2H3,(H,26,29).

What are the key properties of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide?

1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90504058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).