5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C14H13N3O2 — CID 97455316

IUPAC5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESc1cc2cc(-c3nc([C@H]4CCOC4)no3)ccc2[nH]1
InChIInChI=1S/C14H13N3O2/c1-2-12-9(3-5-15-12)7-10(1)14-16-13(17-19-14)11-4-6-18-8-11/h1-3,5,7,11,15H,4,6,8H2/t11-/m0/s1
InChIKeyYINPLDIJYNKGGX-NSHDSACASA-N
MW255.28 g/mol
LogP2.72
Rot. Bonds2

About 5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97455316) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97455316
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESc1cc2cc(-c3nc([C@H]4CCOC4)no3)ccc2[nH]1
InChIInChI=1S/C14H13N3O2/c1-2-12-9(3-5-15-12)7-10(1)14-16-13(17-19-14)11-4-6-18-8-11/h1-3,5,7,11,15H,4,6,8H2/t11-/m0/s1
InChIKeyYINPLDIJYNKGGX-NSHDSACASA-N
XLogP2.72
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97455316) is 5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is c1cc2cc(-c3nc([C@H]4CCOC4)no3)ccc2[nH]1.
What is the InChIKey of 5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is YINPLDIJYNKGGX-NSHDSACASA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-12-9(3-5-15-12)7-10(1)14-16-13(17-19-14)11-4-6-18-8-11/h1-3,5,7,11,15H,4,6,8H2/t11-/m0/s1.
What are the key properties of 5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 255.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97455316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).