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

C32H36N4O5 — CID 59425530

IUPAC1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCc1noc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1
InChIInChI=1S/C32H36N4O5/c1-19(21-6-7-21)39-32(37)34-23-10-8-22(9-11-23)30-29(31-33-20(2)35-41-31)27-13-12-26(40-25-14-16-38-17-15-25)18-28(27)36(30)24-4-3-5-24/h8-13,18-19,21,24-25H,3-7,14-17H2,1-2H3,(H,34,37)
InChIKeyVAFNSBVZQNGHKT-UHFFFAOYSA-N
MW556.66 g/mol
LogP7.30
Rot. Bonds8

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

1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 59425530) has the molecular formula C32H36N4O5 and a molecular weight of 556.66 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
PubChem CID59425530
Molecular FormulaC32H36N4O5
Molecular Weight556.66 g/mol
Exact Mass556.27
IUPAC Name1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCc1noc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1
InChIInChI=1S/C32H36N4O5/c1-19(21-6-7-21)39-32(37)34-23-10-8-22(9-11-23)30-29(31-33-20(2)35-41-31)27-13-12-26(40-25-14-16-38-17-15-25)18-28(27)36(30)24-4-3-5-24/h8-13,18-19,21,24-25H,3-7,14-17H2,1-2H3,(H,34,37)
InChIKeyVAFNSBVZQNGHKT-UHFFFAOYSA-N
XLogP7.30
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 ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (CID 59425530) is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is Cc1noc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.
What is the InChIKey of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is VAFNSBVZQNGHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O5/c1-19(21-6-7-21)39-32(37)34-23-10-8-22(9-11-23)30-29(31-33-20(2)35-41-31)27-13-12-26(40-25-14-16-38-17-15-25)18-28(27)36(30)24-4-3-5-24/h8-13,18-19,21,24-25H,3-7,14-17H2,1-2H3,(H,34,37).
What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 556.66 g/mol, XLogP of 7.30, 8 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-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).