4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one

C17H16N6O2 — CID 23322067

IUPAC4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one
SMILESNCCc1ccc(Oc2nnnn2-c2ccccc2)c2c1CC(=O)N2
InChIInChI=1S/C17H16N6O2/c18-9-8-11-6-7-14(16-13(11)10-15(24)19-16)25-17-20-21-22-23(17)12-4-2-1-3-5-12/h1-7H,8-10,18H2,(H,19,24)
InChIKeyPLKMLNRAUXEIKY-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.45
Rot. Bonds5

About 4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one

4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one (PubChem CID 23322067) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one
PubChem CID23322067
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one
SMILESNCCc1ccc(Oc2nnnn2-c2ccccc2)c2c1CC(=O)N2
InChIInChI=1S/C17H16N6O2/c18-9-8-11-6-7-14(16-13(11)10-15(24)19-16)25-17-20-21-22-23(17)12-4-2-1-3-5-12/h1-7H,8-10,18H2,(H,19,24)
InChIKeyPLKMLNRAUXEIKY-UHFFFAOYSA-N
XLogP1.45
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
CID 114323919
7-(1-phenyltetrazol-5-yl)oxy-1,2-dihydroindol-3-one
CID 70472017
2-(1-phenyltetrazol-5-yl)oxyaniline
CID 1079791
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
dimethyl 4-(1-phenyltetrazol-5-yl)oxybenzene-1,3-dicarboxylate
CID 4969452
5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole
CID 107284493
1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
5-(2-azidophenoxy)-1-phenyltetrazole
CID 169324997
1-phenyl-5-phenylmethoxytetrazole
CID 5082830
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206363
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 17212404
8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one
CID 21460250

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one?
The IUPAC name of 4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one (CID 23322067) is 4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one is NCCc1ccc(Oc2nnnn2-c2ccccc2)c2c1CC(=O)N2.
What is the InChIKey of 4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one?
The InChIKey is PLKMLNRAUXEIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c18-9-8-11-6-7-14(16-13(11)10-15(24)19-16)25-17-20-21-22-23(17)12-4-2-1-3-5-12/h1-7H,8-10,18H2,(H,19,24).
What are the key properties of 4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one?
4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one has a molecular weight of 336.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 23322067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).