5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C16H18N2O3 — CID 97438019

IUPAC5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCOc1cc2c(cc1-c1nc([C@H]3CCOC3)no1)CCC2
InChIInChI=1S/C16H18N2O3/c1-19-14-8-11-4-2-3-10(11)7-13(14)16-17-15(18-21-16)12-5-6-20-9-12/h7-8,12H,2-6,9H2,1H3/t12-/m0/s1
InChIKeyIEFLUVBCLPFBSG-LBPRGKRZSA-N
MW286.33 g/mol
LogP2.74
Rot. Bonds3

About 5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97438019) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97438019
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCOc1cc2c(cc1-c1nc([C@H]3CCOC3)no1)CCC2
InChIInChI=1S/C16H18N2O3/c1-19-14-8-11-4-2-3-10(11)7-13(14)16-17-15(18-21-16)12-5-6-20-9-12/h7-8,12H,2-6,9H2,1H3/t12-/m0/s1
InChIKeyIEFLUVBCLPFBSG-LBPRGKRZSA-N
XLogP2.74
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97438019) is 5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is COc1cc2c(cc1-c1nc([C@H]3CCOC3)no1)CCC2.
What is the InChIKey of 5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is IEFLUVBCLPFBSG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-19-14-8-11-4-2-3-10(11)7-13(14)16-17-15(18-21-16)12-5-6-20-9-12/h7-8,12H,2-6,9H2,1H3/t12-/m0/s1.
What are the key properties of 5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 286.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97438019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).