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

C17H21N3O4S — CID 129343793

IUPAC(2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCO[C@@H](c2nnc(C[C@H]3CCc4ccccc43)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/t13-,15-/m1/s1
InChIKeyXMZWMQBDDJZLBN-UKRRQHHQSA-N
MW363.44 g/mol
LogP1.67
Rot. Bonds4

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

(2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (PubChem CID 129343793) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
PubChem CID129343793
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name(2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCO[C@@H](c2nnc(C[C@H]3CCc4ccccc43)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/t13-,15-/m1/s1
InChIKeyXMZWMQBDDJZLBN-UKRRQHHQSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The IUPAC name of (2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (CID 129343793) is (2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.
What is the SMILES notation for (2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The canonical SMILES for (2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is CS(=O)(=O)N1CCO[C@@H](c2nnc(C[C@H]3CCc4ccccc43)o2)C1.
What is the InChIKey of (2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The InChIKey is XMZWMQBDDJZLBN-UKRRQHHQSA-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/t13-,15-/m1/s1.
What are the key properties of (2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
(2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-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 (2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is sourced from PubChem (CID 129343793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).