[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate

C20H19N5O3 — CID 2998726

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O3/c1-14-11-16-9-5-6-10-17(16)25(14)18(26)13-28-19(27)12-24-22-20(21-23-24)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
InChIKeyRAJVKJIQBKUTFF-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.86
Rot. Bonds5

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate (PubChem CID 2998726) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
PubChem CID2998726
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O3/c1-14-11-16-9-5-6-10-17(16)25(14)18(26)13-28-19(27)12-24-22-20(21-23-24)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
InChIKeyRAJVKJIQBKUTFF-UHFFFAOYSA-N
XLogP1.86
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate (CID 2998726) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate is CC1Cc2ccccc2N1C(=O)COC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate?
The InChIKey is RAJVKJIQBKUTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-14-11-16-9-5-6-10-17(16)25(14)18(26)13-28-19(27)12-24-22-20(21-23-24)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate has a molecular weight of 377.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate is sourced from PubChem (CID 2998726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).