1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate

C28H26N4O4 — CID 59425144

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

1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 59425144) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 59425144
• Molecular Formula: C28H26N4O4
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.20
• IUPAC Name: 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate
• SMILES: CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncco4)cc3n2C2CCC2)cc1)C1CC1
• InChI: InChI=1S/C28H26N4O4/c1-17(18-5-6-18)35-27(33)31-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(36-28-30-13-14-34-28)15-25(23)32(26)21-3-2-4-21/h7-15,17-18,21H,2-6H2,1H3,(H,31,33)
• InChIKey: OSGBJJZIXWVRIA-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 102.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate (CID 59425144) is 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate.

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

The canonical SMILES for 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncco4)cc3n2C2CCC2)cc1)C1CC1.

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

The InChIKey is OSGBJJZIXWVRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-17(18-5-6-18)35-27(33)31-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(36-28-30-13-14-34-28)15-25(23)32(26)21-3-2-4-21/h7-15,17-18,21H,2-6H2,1H3,(H,31,33).

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

1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 482.54 g/mol, XLogP of 7.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).