propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

C32H36N4O5 — CID 59425207

IUPACpropan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(-c3noc(C4CC4)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1
InChIInChI=1S/C32H36N4O5/c1-19(2)39-32(37)33-22-10-8-20(9-11-22)29-28(30-34-31(41-35-30)21-6-7-21)26-13-12-25(40-24-14-16-38-17-15-24)18-27(26)36(29)23-4-3-5-23/h8-13,18-19,21,23-24H,3-7,14-17H2,1-2H3,(H,33,37)
InChIKeyBBANYOCPYAONNA-UHFFFAOYSA-N
MW556.66 g/mol
LogP7.48
Rot. Bonds8

About propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 59425207) has the molecular formula C32H36N4O5 and a molecular weight of 556.66 g/mol. Its IUPAC name is propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
PubChem CID59425207
Molecular FormulaC32H36N4O5
Molecular Weight556.66 g/mol
Exact Mass556.27
IUPAC Namepropan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(-c3noc(C4CC4)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1
InChIInChI=1S/C32H36N4O5/c1-19(2)39-32(37)33-22-10-8-20(9-11-22)29-28(30-34-31(41-35-30)21-6-7-21)26-13-12-25(40-24-14-16-38-17-15-24)18-27(26)36(29)23-4-3-5-23/h8-13,18-19,21,23-24H,3-7,14-17H2,1-2H3,(H,33,37)
InChIKeyBBANYOCPYAONNA-UHFFFAOYSA-N
XLogP7.48
TPSA100.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (CID 59425207) is propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(-c3noc(C4CC4)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.
What is the InChIKey of propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is BBANYOCPYAONNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O5/c1-19(2)39-32(37)33-22-10-8-20(9-11-22)29-28(30-34-31(41-35-30)21-6-7-21)26-13-12-25(40-24-14-16-38-17-15-24)18-27(26)36(29)23-4-3-5-23/h8-13,18-19,21,23-24H,3-7,14-17H2,1-2H3,(H,33,37).
What are the key properties of propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 556.66 g/mol, XLogP of 7.48, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).