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

C14H13N5O2 — CID 102949476

IUPAC4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
SMILESCOc1cc(-c2noc(-c3ccc(N)c(C)c3)n2)ncn1
InChIInChI=1S/C14H13N5O2/c1-8-5-9(3-4-10(8)15)14-18-13(19-21-14)11-6-12(20-2)17-7-16-11/h3-7H,15H2,1-2H3
InChIKeyNDVQTIYFOQIXIN-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.09
Rot. Bonds3

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

4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline (PubChem CID 102949476) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
PubChem CID102949476
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
SMILESCOc1cc(-c2noc(-c3ccc(N)c(C)c3)n2)ncn1
InChIInChI=1S/C14H13N5O2/c1-8-5-9(3-4-10(8)15)14-18-13(19-21-14)11-6-12(20-2)17-7-16-11/h3-7H,15H2,1-2H3
InChIKeyNDVQTIYFOQIXIN-UHFFFAOYSA-N
XLogP2.09
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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]pyridin-3-amine
CID 102949662
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 102949607
3-(6-methoxypyrimidin-4-yl)-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazole
CID 167832108
5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 102949514
5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 102949575
2-methyl-4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 106847232
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 102949561
3-(6-methoxypyrimidin-4-yl)-5-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-1,2,4-oxadiazole
CID 155954349
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 81494253
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)aniline
CID 86257239

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The IUPAC name of 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline (CID 102949476) is 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline.
What is the SMILES notation for 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The canonical SMILES for 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline is COc1cc(-c2noc(-c3ccc(N)c(C)c3)n2)ncn1.
What is the InChIKey of 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The InChIKey is NDVQTIYFOQIXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8-5-9(3-4-10(8)15)14-18-13(19-21-14)11-6-12(20-2)17-7-16-11/h3-7H,15H2,1-2H3.
What are the key properties of 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline has a molecular weight of 283.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline is sourced from PubChem (CID 102949476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).