N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine

C17H17N5O2 — CID 167810157

IUPACN-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine
SMILESCc1nnc(C2CC(Nc3nccc(Oc4ccccc4)n3)C2)o1
InChIInChI=1S/C17H17N5O2/c1-11-21-22-16(23-11)12-9-13(10-12)19-17-18-8-7-15(20-17)24-14-5-3-2-4-6-14/h2-8,12-13H,9-10H2,1H3,(H,18,19,20)
InChIKeyDXLUVADZYDWZRO-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.32
Rot. Bonds5

About N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine

N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine (PubChem CID 167810157) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine
PubChem CID167810157
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine
SMILESCc1nnc(C2CC(Nc3nccc(Oc4ccccc4)n3)C2)o1
InChIInChI=1S/C17H17N5O2/c1-11-21-22-16(23-11)12-9-13(10-12)19-17-18-8-7-15(20-17)24-14-5-3-2-4-6-14/h2-8,12-13H,9-10H2,1H3,(H,18,19,20)
InChIKeyDXLUVADZYDWZRO-UHFFFAOYSA-N
XLogP3.32
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-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 N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine?
The IUPAC name of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine (CID 167810157) is N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine.
What is the SMILES notation for N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine?
The canonical SMILES for N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine is Cc1nnc(C2CC(Nc3nccc(Oc4ccccc4)n3)C2)o1.
What is the InChIKey of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine?
The InChIKey is DXLUVADZYDWZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-21-22-16(23-11)12-9-13(10-12)19-17-18-8-7-15(20-17)24-14-5-3-2-4-6-14/h2-8,12-13H,9-10H2,1H3,(H,18,19,20).
What are the key properties of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine?
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine has a molecular weight of 323.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine is sourced from PubChem (CID 167810157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).