dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate

C17H20N2O5 — CID 10782792

IUPACdimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@H](C(=O)OC)ON(C)[C@H]1c1cc2ccccc2n1C
InChIInChI=1S/C17H20N2O5/c1-18-11-8-6-5-7-10(11)9-12(18)14-13(16(20)22-3)15(17(21)23-4)24-19(14)2/h5-9,13-15H,1-4H3/t13-,14-,15+/m0/s1
InChIKeyNPFJSCMDBYISND-SOUVJXGZSA-N
MW332.36 g/mol
LogP1.43
Rot. Bonds3

About dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate

dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate (PubChem CID 10782792) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate
PubChem CID10782792
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Namedimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@H](C(=O)OC)ON(C)[C@H]1c1cc2ccccc2n1C
InChIInChI=1S/C17H20N2O5/c1-18-11-8-6-5-7-10(11)9-12(18)14-13(16(20)22-3)15(17(21)23-4)24-19(14)2/h5-9,13-15H,1-4H3/t13-,14-,15+/m0/s1
InChIKeyNPFJSCMDBYISND-SOUVJXGZSA-N
XLogP1.43
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate with MolForge

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Related Compounds

dimethyl (3R,4R,5S)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate
CID 10830397
methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762872
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate
CID 11174273
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate
CID 134303472
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
methyl 2-(1-methylindol-2-yl)sulfanylacetate
CID 10704919
methyl 1-methylindole-2-carboperoxoate
CID 140791750
dimethyl (3R,4S,5R)-2-phenyl-3-(trifluoromethyl)-1,2-oxazolidine-4,5-dicarboxylate
CID 102443687
N,1-dimethylindol-2-amine
CID 11744928
(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone
CID 113087934

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate?
The IUPAC name of dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate (CID 10782792) is dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate?
The canonical SMILES for dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate is COC(=O)[C@@H]1[C@H](C(=O)OC)ON(C)[C@H]1c1cc2ccccc2n1C.
What is the InChIKey of dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate?
The InChIKey is NPFJSCMDBYISND-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-18-11-8-6-5-7-10(11)9-12(18)14-13(16(20)22-3)15(17(21)23-4)24-19(14)2/h5-9,13-15H,1-4H3/t13-,14-,15+/m0/s1.
What are the key properties of dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate?
dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate is sourced from PubChem (CID 10782792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).