(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide

C22H23N5O2 — CID 55528836

IUPAC(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide
SMILESCc1nc(C2(NC(=O)/C=C/c3cn(CCC#N)c4ccccc34)CCCC2)no1
InChIInChI=1S/C22H23N5O2/c1-16-24-21(26-29-16)22(11-4-5-12-22)25-20(28)10-9-17-15-27(14-6-13-23)19-8-3-2-7-18(17)19/h2-3,7-10,15H,4-6,11-12,14H2,1H3,(H,25,28)/b10-9+
InChIKeyOCZSTAZCIYFRRE-MDZDMXLPSA-N
MW389.46 g/mol
LogP3.85
Rot. Bonds6

About (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide

(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide (PubChem CID 55528836) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide
PubChem CID55528836
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide
SMILESCc1nc(C2(NC(=O)/C=C/c3cn(CCC#N)c4ccccc34)CCCC2)no1
InChIInChI=1S/C22H23N5O2/c1-16-24-21(26-29-16)22(11-4-5-12-22)25-20(28)10-9-17-15-27(14-6-13-23)19-8-3-2-7-18(17)19/h2-3,7-10,15H,4-6,11-12,14H2,1H3,(H,25,28)/b10-9+
InChIKeyOCZSTAZCIYFRRE-MDZDMXLPSA-N
XLogP3.85
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide?
The IUPAC name of (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide (CID 55528836) is (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide?
The canonical SMILES for (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide is Cc1nc(C2(NC(=O)/C=C/c3cn(CCC#N)c4ccccc34)CCCC2)no1.
What is the InChIKey of (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide?
The InChIKey is OCZSTAZCIYFRRE-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16-24-21(26-29-16)22(11-4-5-12-22)25-20(28)10-9-17-15-27(14-6-13-23)19-8-3-2-7-18(17)19/h2-3,7-10,15H,4-6,11-12,14H2,1H3,(H,25,28)/b10-9+.
What are the key properties of (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide?
(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide has a molecular weight of 389.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 55528836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).