methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate

C15H16N2O4 — CID 10613322

IUPACmethyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)[C@@H]1CC([C@]2(C)C(=O)N(C)c3ccccc32)=NO1
InChIInChI=1S/C15H16N2O4/c1-15(12-8-11(21-16-12)13(18)20-3)9-6-4-5-7-10(9)17(2)14(15)19/h4-7,11H,8H2,1-3H3/t11-,15+/m0/s1
InChIKeyQQISFFCQYCLHFF-XHDPSFHLSA-N
MW288.30 g/mol
LogP1.24
Rot. Bonds2

About methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate

methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 10613322) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID10613322
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)[C@@H]1CC([C@]2(C)C(=O)N(C)c3ccccc32)=NO1
InChIInChI=1S/C15H16N2O4/c1-15(12-8-11(21-16-12)13(18)20-3)9-6-4-5-7-10(9)17(2)14(15)19/h4-7,11H,8H2,1-3H3/t11-,15+/m0/s1
InChIKeyQQISFFCQYCLHFF-XHDPSFHLSA-N
XLogP1.24
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate with MolForge

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Related Compounds

(3aR,6aR)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-5-methyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 10710294
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
methyl (1R,6R)-3-(furan-2-yl)-1'-methyl-2',5-dioxospiro[cyclohex-3-ene-6,3'-indole]-1-carboxylate
CID 132580985
methyl (2S,3R)-4,4-dicyano-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-2-carboxylate
CID 135004732
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
methyl 1'-methyl-2'-oxospiro[1,3-dihydroindole-2,3'-indole]-3-carboxylate
CID 102101964
methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate
CID 57389469
methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 89070674
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
methyl (1R,6R)-3-(2-chlorophenyl)-1'-methyl-2',5-dioxospiro[cyclohex-3-ene-6,3'-indole]-1-carboxylate
CID 132580980
methyl (3R)-1-methyl-2-oxo-3-propan-2-ylindole-3-carboxylate
CID 171828755
1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one
CID 157328720

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 10613322) is methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate is COC(=O)[C@@H]1CC([C@]2(C)C(=O)N(C)c3ccccc32)=NO1.
What is the InChIKey of methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is QQISFFCQYCLHFF-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-15(12-8-11(21-16-12)13(18)20-3)9-6-4-5-7-10(9)17(2)14(15)19/h4-7,11H,8H2,1-3H3/t11-,15+/m0/s1.
What are the key properties of methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-3-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 10613322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).