2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole

C13H16N2O — CID 12701146

IUPAC2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc3c2NCC3)=N1
InChIInChI=1S/C13H16N2O/c1-13(2)8-16-12(15-13)10-5-3-4-9-6-7-14-11(9)10/h3-5,14H,6-8H2,1-2H3
InChIKeyOPOUBLQAPQAMBY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.21
Rot. Bonds1

About 2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 12701146) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID12701146
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc3c2NCC3)=N1
InChIInChI=1S/C13H16N2O/c1-13(2)8-16-12(15-13)10-5-3-4-9-6-7-14-11(9)10/h3-5,14H,6-8H2,1-2H3
InChIKeyOPOUBLQAPQAMBY-UHFFFAOYSA-N
XLogP2.21
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 12701146) is 2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cccc3c2NCC3)=N1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is OPOUBLQAPQAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2)8-16-12(15-13)10-5-3-4-9-6-7-14-11(9)10/h3-5,14H,6-8H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 216.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-7-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 12701146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).