5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine

C21H24N6O2 — CID 123373159

IUPAC5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCCC(C)Oc1ccnc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1
InChIInChI=1S/C21H24N6O2/c1-5-13(4)28-18-8-9-22-19(25-18)16-11-23-17-7-6-14(10-15(16)17)20-26-27-21(29-20)24-12(2)3/h6-13,23H,5H2,1-4H3,(H,24,27)
InChIKeyUHGYRIWEYVLTLN-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.67
Rot. Bonds7

About 5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine

5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 123373159) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID123373159
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCCC(C)Oc1ccnc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1
InChIInChI=1S/C21H24N6O2/c1-5-13(4)28-18-8-9-22-19(25-18)16-11-23-17-7-6-14(10-15(16)17)20-26-27-21(29-20)24-12(2)3/h6-13,23H,5H2,1-4H3,(H,24,27)
InChIKeyUHGYRIWEYVLTLN-UHFFFAOYSA-N
XLogP4.67
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 123373159) is 5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine is CCC(C)Oc1ccnc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1.
What is the InChIKey of 5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is UHGYRIWEYVLTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-5-13(4)28-18-8-9-22-19(25-18)16-11-23-17-7-6-14(10-15(16)17)20-26-27-21(29-20)24-12(2)3/h6-13,23H,5H2,1-4H3,(H,24,27).
What are the key properties of 5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 392.46 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 123373159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).