5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine

C19H19FN6O2 — CID 90256668

IUPAC5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCOc1nc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)nc(C)c1F
InChIInChI=1S/C19H19FN6O2/c1-9(2)22-19-26-25-17(28-19)11-5-6-14-12(7-11)13(8-21-14)16-23-10(3)15(20)18(24-16)27-4/h5-9,21H,1-4H3,(H,22,26)
InChIKeyRQIKEJKQGQDFHA-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.95
Rot. Bonds5

About 5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine

5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 90256668) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID90256668
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCOc1nc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)nc(C)c1F
InChIInChI=1S/C19H19FN6O2/c1-9(2)22-19-26-25-17(28-19)11-5-6-14-12(7-11)13(8-21-14)16-23-10(3)15(20)18(24-16)27-4/h5-9,21H,1-4H3,(H,22,26)
InChIKeyRQIKEJKQGQDFHA-UHFFFAOYSA-N
XLogP3.95
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-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 5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 90256668) is 5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine is COc1nc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)nc(C)c1F.
What is the InChIKey of 5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is RQIKEJKQGQDFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-9(2)22-19-26-25-17(28-19)11-5-6-14-12(7-11)13(8-21-14)16-23-10(3)15(20)18(24-16)27-4/h5-9,21H,1-4H3,(H,22,26).
What are the key properties of 5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 382.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 90256668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).