(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

C15H17N3O5S — CID 55473738

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
SMILESCc1nnc(COC(=O)c2ccc3c(c2)CC(C)N3S(C)(=O)=O)o1
InChIInChI=1S/C15H17N3O5S/c1-9-6-12-7-11(4-5-13(12)18(9)24(3,20)21)15(19)22-8-14-17-16-10(2)23-14/h4-5,7,9H,6,8H2,1-3H3
InChIKeyJRBSAYKWWCGZGR-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.45
Rot. Bonds4

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate (PubChem CID 55473738) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
PubChem CID55473738
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
SMILESCc1nnc(COC(=O)c2ccc3c(c2)CC(C)N3S(C)(=O)=O)o1
InChIInChI=1S/C15H17N3O5S/c1-9-6-12-7-11(4-5-13(12)18(9)24(3,20)21)15(19)22-8-14-17-16-10(2)23-14/h4-5,7,9H,6,8H2,1-3H3
InChIKeyJRBSAYKWWCGZGR-UHFFFAOYSA-N
XLogP1.45
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate with MolForge

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Related Compounds

(2-methylphenyl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55472400
2-oxopropyl (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 9063978
(4-chlorophenyl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55382144
(2-chlorophenyl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55382011
[2-(dimethylamino)-2-oxoethyl] (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 9064244
(4-bromo-2-fluorophenyl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55473445
2-(2,6-dimethylphenoxy)ethyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 46691459
[2-(tert-butylamino)-2-oxoethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 47008863
(2,6-dimethylphenyl) (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8777244
(2,6-dimethylphenyl) (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8777243
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
ethyl 4-[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 41452649

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate (CID 55473738) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate is Cc1nnc(COC(=O)c2ccc3c(c2)CC(C)N3S(C)(=O)=O)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate?
The InChIKey is JRBSAYKWWCGZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-9-6-12-7-11(4-5-13(12)18(9)24(3,20)21)15(19)22-8-14-17-16-10(2)23-14/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate has a molecular weight of 351.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 55473738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).