2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole

C19H27N5O — CID 23771389

IUPAC2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole
SMILESCC(C)C(c1nnnn1CC1CCCO1)N1c2ccccc2CC1C
InChIInChI=1S/C19H27N5O/c1-13(2)18(24-14(3)11-15-7-4-5-9-17(15)24)19-20-21-22-23(19)12-16-8-6-10-25-16/h4-5,7,9,13-14,16,18H,6,8,10-12H2,1-3H3
InChIKeyQTHUMUUALRCYRA-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.00
Rot. Bonds5

About 2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole

2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole (PubChem CID 23771389) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole
PubChem CID23771389
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole
SMILESCC(C)C(c1nnnn1CC1CCCO1)N1c2ccccc2CC1C
InChIInChI=1S/C19H27N5O/c1-13(2)18(24-14(3)11-15-7-4-5-9-17(15)24)19-20-21-22-23(19)12-16-8-6-10-25-16/h4-5,7,9,13-14,16,18H,6,8,10-12H2,1-3H3
InChIKeyQTHUMUUALRCYRA-UHFFFAOYSA-N
XLogP3.00
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 3176852
1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
CID 7388864
1-[(1S)-2-methyl-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
CID 7388858
5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369
1-(4-fluorophenyl)-4-[(1R)-2-methyl-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine
CID 7388868
1-(4-fluorophenyl)-4-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
CID 171668338
1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine
CID 103085687
1-(2-methoxyphenyl)-4-[(1R)-3-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 51685928
1-(2-methoxyphenyl)-4-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazin-4-ium
CID 7388733
1-(2-methoxyphenyl)-4-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazin-4-ium
CID 7388727
1-(2,3-dimethylphenyl)-4-[(1S)-3-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 7388935
1-benzyl-4-[(1S)-3-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine-1,4-diium
CID 7391920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole (CID 23771389) is 2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole is CC(C)C(c1nnnn1CC1CCCO1)N1c2ccccc2CC1C.
What is the InChIKey of 2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole?
The InChIKey is QTHUMUUALRCYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13(2)18(24-14(3)11-15-7-4-5-9-17(15)24)19-20-21-22-23(19)12-16-8-6-10-25-16/h4-5,7,9,13-14,16,18H,6,8,10-12H2,1-3H3.
What are the key properties of 2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole?
2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole has a molecular weight of 341.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole is sourced from PubChem (CID 23771389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).