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

C27H29N3O4 — CID 46946038

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

propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-4-yl)indol-2-yl]phenyl]carbamate (PubChem CID 46946038) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-4-yl)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-4-yl)indol-2-yl]phenyl]carbamate
• PubChem CID: 46946038
• Molecular Formula: C27H29N3O4
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.22
• IUPAC Name: propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-4-yl)indol-2-yl]phenyl]carbamate
• SMILES: CCOc1ccc2c(-c3cocn3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C27H29N3O4/c1-4-33-21-12-13-22-24(14-21)30(20-6-5-7-20)26(25(22)23-15-32-16-28-23)18-8-10-19(11-9-18)29-27(31)34-17(2)3/h8-17,20H,4-7H2,1-3H3,(H,29,31)
• InChIKey: IPMPZOXBDIQWMG-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 78.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-4-yl)indol-2-yl]phenyl]carbamate (CID 46946038) is propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-4-yl)indol-2-yl]phenyl]carbamate.

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

The canonical SMILES for propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-4-yl)indol-2-yl]phenyl]carbamate is CCOc1ccc2c(-c3cocn3)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-oxazol-4-yl)indol-2-yl]phenyl]carbamate?

The InChIKey is IPMPZOXBDIQWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-4-33-21-12-13-22-24(14-21)30(20-6-5-7-20)26(25(22)23-15-32-16-28-23)18-8-10-19(11-9-18)29-27(31)34-17(2)3/h8-17,20H,4-7H2,1-3H3,(H,29,31).

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

propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-4-yl)indol-2-yl]phenyl]carbamate has a molecular weight of 459.55 g/mol, XLogP of 7.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-4-yl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 46946038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).