N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline

C13H11N5O — CID 104698928

IUPACN-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESCNc1ccc(-c2nc(-c3ccncn3)no2)cc1
InChIInChI=1S/C13H11N5O/c1-14-10-4-2-9(3-5-10)13-17-12(18-19-13)11-6-7-15-8-16-11/h2-8,14H,1H3
InChIKeyUMKOIGCVBYAMLL-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.24
Rot. Bonds3

About N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline

N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 104698928) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID104698928
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESCNc1ccc(-c2nc(-c3ccncn3)no2)cc1
InChIInChI=1S/C13H11N5O/c1-14-10-4-2-9(3-5-10)13-17-12(18-19-13)11-6-7-15-8-16-11/h2-8,14H,1H3
InChIKeyUMKOIGCVBYAMLL-UHFFFAOYSA-N
XLogP2.24
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 107706890
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698932
2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137012853
4-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 44560734
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 82468711
[4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 115528746
4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 115528705
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
CID 113329157
N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698799
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136770934

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline (CID 104698928) is N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline is CNc1ccc(-c2nc(-c3ccncn3)no2)cc1.
What is the InChIKey of N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is UMKOIGCVBYAMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-14-10-4-2-9(3-5-10)13-17-12(18-19-13)11-6-7-15-8-16-11/h2-8,14H,1H3.
What are the key properties of N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 253.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 104698928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).