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

C34H38N4O5 — CID 59425576

IUPAC1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(-c3noc(C4CC4)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C34H38N4O5/c1-20(21-5-6-21)41-34(39)35-24-11-9-22(10-12-24)31-30(32-36-33(43-37-32)23-7-8-23)28-14-13-27(42-26-15-17-40-18-16-26)19-29(28)38(31)25-3-2-4-25/h9-14,19-21,23,25-26H,2-8,15-18H2,1H3,(H,35,39)
InChIKeyLPKZHSCJKIQJSG-UHFFFAOYSA-N
MW582.70 g/mol
LogP7.87
Rot. Bonds9

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

1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 59425576) has the molecular formula C34H38N4O5 and a molecular weight of 582.70 g/mol. Its IUPAC name is 1-cyclopropylethyl 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 Name1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
PubChem CID59425576
Molecular FormulaC34H38N4O5
Molecular Weight582.70 g/mol
Exact Mass582.28
IUPAC Name1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(-c3noc(C4CC4)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C34H38N4O5/c1-20(21-5-6-21)41-34(39)35-24-11-9-22(10-12-24)31-30(32-36-33(43-37-32)23-7-8-23)28-14-13-27(42-26-15-17-40-18-16-26)19-29(28)38(31)25-3-2-4-25/h9-14,19-21,23,25-26H,2-8,15-18H2,1H3,(H,35,39)
InChIKeyLPKZHSCJKIQJSG-UHFFFAOYSA-N
XLogP7.87
TPSA100.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.70
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl 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 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (CID 59425576) is 1-cyclopropylethyl 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 1-cyclopropylethyl 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 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(-c3noc(C4CC4)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.
What is the InChIKey of 1-cyclopropylethyl 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 LPKZHSCJKIQJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O5/c1-20(21-5-6-21)41-34(39)35-24-11-9-22(10-12-24)31-30(32-36-33(43-37-32)23-7-8-23)28-14-13-27(42-26-15-17-40-18-16-26)19-29(28)38(31)25-3-2-4-25/h9-14,19-21,23,25-26H,2-8,15-18H2,1H3,(H,35,39).
What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
1-cyclopropylethyl 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 582.70 g/mol, XLogP of 7.87, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl 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 59425576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).