5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C15H14ClN3O2 — CID 97446011

IUPAC5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCn1c(-c2nc([C@H]3CCOC3)no2)cc2ccc(Cl)cc21
InChIInChI=1S/C15H14ClN3O2/c1-19-12-7-11(16)3-2-9(12)6-13(19)15-17-14(18-21-15)10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3/t10-/m0/s1
InChIKeyTVKNISZYKZDZFL-JTQLQIEISA-N
MW303.75 g/mol
LogP3.39
Rot. Bonds2

About 5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97446011) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97446011
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCn1c(-c2nc([C@H]3CCOC3)no2)cc2ccc(Cl)cc21
InChIInChI=1S/C15H14ClN3O2/c1-19-12-7-11(16)3-2-9(12)6-13(19)15-17-14(18-21-15)10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3/t10-/m0/s1
InChIKeyTVKNISZYKZDZFL-JTQLQIEISA-N
XLogP3.39
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97446011) is 5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is Cn1c(-c2nc([C@H]3CCOC3)no2)cc2ccc(Cl)cc21.
What is the InChIKey of 5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is TVKNISZYKZDZFL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-19-12-7-11(16)3-2-9(12)6-13(19)15-17-14(18-21-15)10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3/t10-/m0/s1.
What are the key properties of 5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 303.75 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97446011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).