2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

C17H21N3O4S — CID 129007020

IUPAC2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCOC(c2nnc(CC3CCc4ccccc43)o2)C1
InChIInChI=1S/C17H21N3O4S/c1-25(21,22)20-8-9-23-15(11-20)17-19-18-16(24-17)10-13-7-6-12-4-2-3-5-14(12)13/h2-5,13,15H,6-11H2,1H3
InChIKeyXMZWMQBDDJZLBN-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.67
Rot. Bonds4

About 2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (PubChem CID 129007020) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
PubChem CID129007020
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCOC(c2nnc(CC3CCc4ccccc43)o2)C1
InChIInChI=1S/C17H21N3O4S/c1-25(21,22)20-8-9-23-15(11-20)17-19-18-16(24-17)10-13-7-6-12-4-2-3-5-14(12)13/h2-5,13,15H,6-11H2,1H3
InChIKeyXMZWMQBDDJZLBN-UHFFFAOYSA-N
XLogP1.67
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129343793
(2R)-2-[5-[(1R)-3,4-dihydro-1H-isothiochromen-1-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129335477
(2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129342891
2-[(2S,3S)-2-tert-butyloxolan-3-yl]-5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazole
CID 154793874
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327260
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327262
(2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129335247
(2S)-2-[5-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129331624
2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 128996944
(2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129337421
(2R)-2-[5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129332397
(2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129342332

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The IUPAC name of 2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (CID 129007020) is 2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.
What is the SMILES notation for 2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The canonical SMILES for 2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is CS(=O)(=O)N1CCOC(c2nnc(CC3CCc4ccccc43)o2)C1.
What is the InChIKey of 2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The InChIKey is XMZWMQBDDJZLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-25(21,22)20-8-9-23-15(11-20)17-19-18-16(24-17)10-13-7-6-12-4-2-3-5-14(12)13/h2-5,13,15H,6-11H2,1H3.
What are the key properties of 2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine has a molecular weight of 363.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is sourced from PubChem (CID 129007020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).