5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

C20H14N6O — CID 66554726

IUPAC5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4nccc(-c5ccccc5)n4)c3c2)o1
InChIInChI=1S/C20H14N6O/c21-20-26-25-19(27-20)13-6-7-17-14(10-13)15(11-23-17)18-22-9-8-16(24-18)12-4-2-1-3-5-12/h1-11,23H,(H2,21,26)
InChIKeyUYWOVNUCOZQXAD-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.92
Rot. Bonds3

About 5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 66554726) has the molecular formula C20H14N6O and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID66554726
Molecular FormulaC20H14N6O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4nccc(-c5ccccc5)n4)c3c2)o1
InChIInChI=1S/C20H14N6O/c21-20-26-25-19(27-20)13-6-7-17-14(10-13)15(11-23-17)18-22-9-8-16(24-18)12-4-2-1-3-5-12/h1-11,23H,(H2,21,26)
InChIKeyUYWOVNUCOZQXAD-UHFFFAOYSA-N
XLogP3.92
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (CID 66554726) is 5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc3[nH]cc(-c4nccc(-c5ccccc5)n4)c3c2)o1.
What is the InChIKey of 5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UYWOVNUCOZQXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O/c21-20-26-25-19(27-20)13-6-7-17-14(10-13)15(11-23-17)18-22-9-8-16(24-18)12-4-2-1-3-5-12/h1-11,23H,(H2,21,26).
What are the key properties of 5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 354.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66554726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).