[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C16H16N2O4 — CID 2535750

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H16N2O4/c1-10-15(11(2)22-17-10)16(20)21-9-14(19)18-8-7-12-5-3-4-6-13(12)18/h3-6H,7-9H2,1-2H3
InChIKeyRRGZDSCWKKETMS-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.04
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2535750) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2535750
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H16N2O4/c1-10-15(11(2)22-17-10)16(20)21-9-14(19)18-8-7-12-5-3-4-6-13(12)18/h3-6H,7-9H2,1-2H3
InChIKeyRRGZDSCWKKETMS-UHFFFAOYSA-N
XLogP2.04
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2535750) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is RRGZDSCWKKETMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-15(11(2)22-17-10)16(20)21-9-14(19)18-8-7-12-5-3-4-6-13(12)18/h3-6H,7-9H2,1-2H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2535750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).