1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate

C31H34N4O4 — CID 59430567

About 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate (PubChem CID 59430567) has the molecular formula C31H34N4O4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate
• PubChem CID: 59430567
• Molecular Formula: C31H34N4O4
• Molecular Weight: 526.64 g/mol
• Exact Mass: 526.26
• IUPAC Name: 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate
• SMILES: CCOc1ccc2c(-c3nc(C4CC4)no3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C31H34N4O4/c1-3-37-24-15-16-25-26(17-24)35(23-5-4-6-23)28(27(25)30-33-29(34-39-30)21-9-10-21)20-11-13-22(14-12-20)32-31(36)38-18(2)19-7-8-19/h11-19,21,23H,3-10H2,1-2H3,(H,32,36)
• InChIKey: MFCASYOLKYLPCK-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.64
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate?

The IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate (CID 59430567) is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate.

What is the SMILES notation for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate?

The canonical SMILES for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate is CCOc1ccc2c(-c3nc(C4CC4)no3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate?

The InChIKey is MFCASYOLKYLPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O4/c1-3-37-24-15-16-25-26(17-24)35(23-5-4-6-23)28(27(25)30-33-29(34-39-30)21-9-10-21)20-11-13-22(14-12-20)32-31(36)38-18(2)19-7-8-19/h11-19,21,23H,3-10H2,1-2H3,(H,32,36).

What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate?

1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate has a molecular weight of 526.64 g/mol, XLogP of 7.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59430567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).