5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

C20H21N5O — CID 154640096

IUPAC5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(N)o4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C20H21N5O/c1-10(2)17-15-9-13(19-24-25-20(21)26-19)5-6-16(15)23-18(17)14-7-11(3)22-12(4)8-14/h5-10,23H,1-4H3,(H2,21,25)
InChIKeyVJPFGJUYFFMRLF-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.60
Rot. Bonds3

About 5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 154640096) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID154640096
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(N)o4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C20H21N5O/c1-10(2)17-15-9-13(19-24-25-20(21)26-19)5-6-16(15)23-18(17)14-7-11(3)22-12(4)8-14/h5-10,23H,1-4H3,(H2,21,25)
InChIKeyVJPFGJUYFFMRLF-UHFFFAOYSA-N
XLogP4.60
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (CID 154640096) is 5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is Cc1cc(-c2[nH]c3ccc(-c4nnc(N)o4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VJPFGJUYFFMRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-10(2)17-15-9-13(19-24-25-20(21)26-19)5-6-16(15)23-18(17)14-7-11(3)22-12(4)8-14/h5-10,23H,1-4H3,(H2,21,25).
What are the key properties of 5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 347.42 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 154640096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).