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

C29H32N4O4 — CID 59430536

IUPAC1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate
SMILESCCOc1ccc2c(-c3nc(C)no3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C29H32N4O4/c1-4-35-23-14-15-24-25(16-23)33(22-6-5-7-22)27(26(24)28-30-18(3)32-37-28)20-10-12-21(13-11-20)31-29(34)36-17(2)19-8-9-19/h10-17,19,22H,4-9H2,1-3H3,(H,31,34)
InChIKeyUUQNZLPNZSLGHA-UHFFFAOYSA-N
MW500.60 g/mol
LogP7.14
Rot. Bonds8

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

1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate (PubChem CID 59430536) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate
PubChem CID59430536
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Name1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate
SMILESCCOc1ccc2c(-c3nc(C)no3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C29H32N4O4/c1-4-35-23-14-15-24-25(16-23)33(22-6-5-7-22)27(26(24)28-30-18(3)32-37-28)20-10-12-21(13-11-20)31-29(34)36-17(2)19-8-9-19/h10-17,19,22H,4-9H2,1-3H3,(H,31,34)
InChIKeyUUQNZLPNZSLGHA-UHFFFAOYSA-N
XLogP7.14
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 ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate (CID 59430536) is 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate is CCOc1ccc2c(-c3nc(C)no3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate?
The InChIKey is UUQNZLPNZSLGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-4-35-23-14-15-24-25(16-23)33(22-6-5-7-22)27(26(24)28-30-18(3)32-37-28)20-10-12-21(13-11-20)31-29(34)36-17(2)19-8-9-19/h10-17,19,22H,4-9H2,1-3H3,(H,31,34).
What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate?
1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate has a molecular weight of 500.60 g/mol, XLogP of 7.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59430536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).