1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate

C30H33N3O4 — CID 59430557

About 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate (PubChem CID 59430557) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate
• PubChem CID: 59430557
• Molecular Formula: C30H33N3O4
• Molecular Weight: 499.61 g/mol
• Exact Mass: 499.25
• IUPAC Name: 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate
• SMILES: CCOc1ccc2c(-c3oncc3C)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C30H33N3O4/c1-4-35-24-14-15-25-26(16-24)33(23-6-5-7-23)28(27(25)29-18(2)17-31-37-29)21-10-12-22(13-11-21)32-30(34)36-19(3)20-8-9-20/h10-17,19-20,23H,4-9H2,1-3H3,(H,32,34)
• InChIKey: VRCNYZUMLWDYAL-UHFFFAOYSA-N
• XLogP: 7.74
• TPSA: 78.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate?

The IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate (CID 59430557) is 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate?

The canonical SMILES for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate is CCOc1ccc2c(-c3oncc3C)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate?

The InChIKey is VRCNYZUMLWDYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-4-35-24-14-15-25-26(16-24)33(23-6-5-7-23)28(27(25)29-18(2)17-31-37-29)21-10-12-22(13-11-21)32-30(34)36-19(3)20-8-9-20/h10-17,19-20,23H,4-9H2,1-3H3,(H,32,34).

What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate?

1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate has a molecular weight of 499.61 g/mol, XLogP of 7.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59430557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).