[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate

C24H19N5O4 — CID 3510415

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)C(=Cc1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C24H19N5O4/c30-22(28-13-12-17-7-4-5-11-20(17)28)16-33-24(31)21(15-19-10-6-14-32-19)29-23(25-26-27-29)18-8-2-1-3-9-18/h1-11,14-15H,12-13,16H2
InChIKeyKRZCLHULGGEOMV-UHFFFAOYSA-N
MW441.45 g/mol
LogP3.06
Rot. Bonds6

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate (PubChem CID 3510415) has the molecular formula C24H19N5O4 and a molecular weight of 441.45 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
PubChem CID3510415
Molecular FormulaC24H19N5O4
Molecular Weight441.45 g/mol
Exact Mass441.14
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)C(=Cc1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C24H19N5O4/c30-22(28-13-12-17-7-4-5-11-20(17)28)16-33-24(31)21(15-19-10-6-14-32-19)29-23(25-26-27-29)18-8-2-1-3-9-18/h1-11,14-15H,12-13,16H2
InChIKeyKRZCLHULGGEOMV-UHFFFAOYSA-N
XLogP3.06
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-oxoethyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7769582
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7914646
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 41215201
(3-chlorophenyl)methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7769583
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7363985
imidazo[1,2-a]pyridin-2-ylmethyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7250549
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate
CID 2429900
(Z)-3-(furan-2-yl)-N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 24661286
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 18285613
(3,3-dimethyl-2-oxobutyl) (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 7810240
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
(Z)-N-(4-bromo-3-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 24661294

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate (CID 3510415) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate is O=C(OCC(=O)N1CCc2ccccc21)C(=Cc1ccco1)n1nnnc1-c1ccccc1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate?
The InChIKey is KRZCLHULGGEOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4/c30-22(28-13-12-17-7-4-5-11-20(17)28)16-33-24(31)21(15-19-10-6-14-32-19)29-23(25-26-27-29)18-8-2-1-3-9-18/h1-11,14-15H,12-13,16H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate has a molecular weight of 441.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate is sourced from PubChem (CID 3510415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).