2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline

C14H13N5O2 — CID 102949561

IUPAC2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1nc(-c2cc(OC)ncn2)no1
InChIInChI=1S/C14H13N5O2/c1-15-10-6-4-3-5-9(10)14-18-13(19-21-14)11-7-12(20-2)17-8-16-11/h3-8,15H,1-2H3
InChIKeyKZEQFIDONBIJDA-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.24
Rot. Bonds4

About 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline

2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (PubChem CID 102949561) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.

Molecular Properties

Compound Name2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
PubChem CID102949561
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1nc(-c2cc(OC)ncn2)no1
InChIInChI=1S/C14H13N5O2/c1-15-10-6-4-3-5-9(10)14-18-13(19-21-14)11-7-12(20-2)17-8-16-11/h3-8,15H,1-2H3
InChIKeyKZEQFIDONBIJDA-UHFFFAOYSA-N
XLogP2.24
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63841053
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43519239
5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 102949514
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 102949607
4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 102949476
4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904552
5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 102949575
3-(6-methoxypyrimidin-4-yl)-5-(2-methyl-1-phenylpropyl)-1,2,4-oxadiazole
CID 166235890
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
4-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888916
5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 102949662

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The IUPAC name of 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (CID 102949561) is 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.
What is the SMILES notation for 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The canonical SMILES for 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is CNc1ccccc1-c1nc(-c2cc(OC)ncn2)no1.
What is the InChIKey of 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The InChIKey is KZEQFIDONBIJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-15-10-6-4-3-5-9(10)14-18-13(19-21-14)11-7-12(20-2)17-8-16-11/h3-8,15H,1-2H3.
What are the key properties of 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline has a molecular weight of 283.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is sourced from PubChem (CID 102949561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).