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

C31H32F3N3O5 — CID 59425697

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

propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate (PubChem CID 59425697) has the molecular formula C31H32F3N3O5 and a molecular weight of 583.61 g/mol. Its IUPAC name is propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
• PubChem CID: 59425697
• Molecular Formula: C31H32F3N3O5
• Molecular Weight: 583.61 g/mol
• Exact Mass: 583.23
• IUPAC Name: propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1
• InChI: InChI=1S/C31H32F3N3O5/c1-18(2)41-30(38)35-20-8-6-19(7-9-20)28-27(29-36-26(17-40-29)31(32,33)34)24-11-10-23(42-22-12-14-39-15-13-22)16-25(24)37(28)21-4-3-5-21/h6-11,16-18,21-22H,3-5,12-15H2,1-2H3,(H,35,38)
• InChIKey: GIIDRXBXJWVLMJ-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 87.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.61
LogP ≤ 5	8.22
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-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate (CID 59425697) is propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate.

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

The canonical SMILES for propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.

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

The InChIKey is GIIDRXBXJWVLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3O5/c1-18(2)41-30(38)35-20-8-6-19(7-9-20)28-27(29-36-26(17-40-29)31(32,33)34)24-11-10-23(42-22-12-14-39-15-13-22)16-25(24)37(28)21-4-3-5-21/h6-11,16-18,21-22H,3-5,12-15H2,1-2H3,(H,35,38).

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

propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate has a molecular weight of 583.61 g/mol, XLogP of 8.22, 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-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).