5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole

C16H19N3O2 — CID 103999555

IUPAC5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(-c3ccc4c(c3)CNC4)n2)CCCCO1
InChIInChI=1S/C16H19N3O2/c1-16(6-2-3-7-20-16)15-18-14(21-19-15)11-4-5-12-9-17-10-13(12)8-11/h4-5,8,17H,2-3,6-7,9-10H2,1H3
InChIKeyIRAXWBTZHMDVLY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.76
Rot. Bonds2

About 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole (PubChem CID 103999555) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
PubChem CID103999555
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(-c3ccc4c(c3)CNC4)n2)CCCCO1
InChIInChI=1S/C16H19N3O2/c1-16(6-2-3-7-20-16)15-18-14(21-19-15)11-4-5-12-9-17-10-13(12)8-11/h4-5,8,17H,2-3,6-7,9-10H2,1H3
InChIKeyIRAXWBTZHMDVLY-UHFFFAOYSA-N
XLogP2.76
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 80691509
[4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324977
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 103999564
3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
CID 103999480
3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107209258
4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411911
5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806663
2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743065
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 103999470
3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 80690383
2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
CID 167805977
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 103999553

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole (CID 103999555) is 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole is CC1(c2noc(-c3ccc4c(c3)CNC4)n2)CCCCO1.
What is the InChIKey of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole?
The InChIKey is IRAXWBTZHMDVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(6-2-3-7-20-16)15-18-14(21-19-15)11-4-5-12-9-17-10-13(12)8-11/h4-5,8,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole has a molecular weight of 285.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 103999555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).