propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate

C26H28N4O4 — CID 70798065

About propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate (PubChem CID 70798065) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate
• PubChem CID: 70798065
• Molecular Formula: C26H28N4O4
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.21
• IUPAC Name: propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate
• SMILES: CCOc1ccc2c(-c3nnco3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C26H28N4O4/c1-4-32-20-12-13-21-22(14-20)30(19-6-5-7-19)24(23(21)25-29-27-15-33-25)17-8-10-18(11-9-17)28-26(31)34-16(2)3/h8-16,19H,4-7H2,1-3H3,(H,28,31)
• InChIKey: ZKXZXKOVDZJVEW-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate (CID 70798065) is propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate is CCOc1ccc2c(-c3nnco3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.

What is the InChIKey of propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate?

The InChIKey is ZKXZXKOVDZJVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-4-32-20-12-13-21-22(14-20)30(19-6-5-7-19)24(23(21)25-29-27-15-33-25)17-8-10-18(11-9-17)28-26(31)34-16(2)3/h8-16,19H,4-7H2,1-3H3,(H,28,31).

What are the key properties of propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate?

propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate has a molecular weight of 460.53 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 70798065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).