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

C29H32N4O4 — CID 59430720

IUPACpropan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate
SMILESCCOc1ccc2c(-c3nc(C4CC4)no3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C29H32N4O4/c1-4-35-22-14-15-23-24(16-22)33(21-6-5-7-21)26(25(23)28-31-27(32-37-28)19-8-9-19)18-10-12-20(13-11-18)30-29(34)36-17(2)3/h10-17,19,21H,4-9H2,1-3H3,(H,30,34)
InChIKeyUIDYIQGLNUPHNJ-UHFFFAOYSA-N
MW500.60 g/mol
LogP7.32
Rot. Bonds8

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

propan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate (PubChem CID 59430720) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is propan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate
PubChem CID59430720
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Namepropan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate
SMILESCCOc1ccc2c(-c3nc(C4CC4)no3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C29H32N4O4/c1-4-35-22-14-15-23-24(16-22)33(21-6-5-7-21)26(25(23)28-31-27(32-37-28)19-8-9-19)18-10-12-20(13-11-18)30-29(34)36-17(2)3/h10-17,19,21H,4-9H2,1-3H3,(H,30,34)
InChIKeyUIDYIQGLNUPHNJ-UHFFFAOYSA-N
XLogP7.32
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate (CID 59430720) is propan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate is CCOc1ccc2c(-c3nc(C4CC4)no3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.
What is the InChIKey of propan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate?
The InChIKey is UIDYIQGLNUPHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-4-35-22-14-15-23-24(16-22)33(21-6-5-7-21)26(25(23)28-31-27(32-37-28)19-8-9-19)18-10-12-20(13-11-18)30-29(34)36-17(2)3/h10-17,19,21H,4-9H2,1-3H3,(H,30,34).
What are the key properties of propan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate?
propan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate has a molecular weight of 500.60 g/mol, XLogP of 7.32, 8 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-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59430720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).