6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine

C21H16N6O — CID 164617705

IUPAC6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine
SMILESCn1cc(-c2noc(-c3cc(Nc4ccccc4)ncn3)n2)c2ccccc21
InChIInChI=1S/C21H16N6O/c1-27-12-16(15-9-5-6-10-18(15)27)20-25-21(28-26-20)17-11-19(23-13-22-17)24-14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23,24)
InChIKeyNVVORLJXVCQAMZ-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.43
Rot. Bonds4

About 6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine

6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine (PubChem CID 164617705) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is 6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine
PubChem CID164617705
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine
SMILESCn1cc(-c2noc(-c3cc(Nc4ccccc4)ncn3)n2)c2ccccc21
InChIInChI=1S/C21H16N6O/c1-27-12-16(15-9-5-6-10-18(15)27)20-25-21(28-26-20)17-11-19(23-13-22-17)24-14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23,24)
InChIKeyNVVORLJXVCQAMZ-UHFFFAOYSA-N
XLogP4.43
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine (CID 164617705) is 6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine is Cn1cc(-c2noc(-c3cc(Nc4ccccc4)ncn3)n2)c2ccccc21.
What is the InChIKey of 6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine?
The InChIKey is NVVORLJXVCQAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c1-27-12-16(15-9-5-6-10-18(15)27)20-25-21(28-26-20)17-11-19(23-13-22-17)24-14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23,24).
What are the key properties of 6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine?
6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine has a molecular weight of 368.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 164617705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).