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

C13H10ClN5O2 — CID 102949514

IUPAC5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1cc(-c2noc(-c3ccc(Cl)cc3N)n2)ncn1
InChIInChI=1S/C13H10ClN5O2/c1-20-11-5-10(16-6-17-11)12-18-13(21-19-12)8-3-2-7(14)4-9(8)15/h2-6H,15H2,1H3
InChIKeySEPIEWMDUHATIO-UHFFFAOYSA-N
MW303.71 g/mol
LogP2.44
Rot. Bonds3

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

5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 102949514) has the molecular formula C13H10ClN5O2 and a molecular weight of 303.71 g/mol. Its IUPAC name is 5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID102949514
Molecular FormulaC13H10ClN5O2
Molecular Weight303.71 g/mol
Exact Mass303.05
IUPAC Name5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1cc(-c2noc(-c3ccc(Cl)cc3N)n2)ncn1
InChIInChI=1S/C13H10ClN5O2/c1-20-11-5-10(16-6-17-11)12-18-13(21-19-12)8-3-2-7(14)4-9(8)15/h2-6H,15H2,1H3
InChIKeySEPIEWMDUHATIO-UHFFFAOYSA-N
XLogP2.44
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 52.44
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

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
5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 102949575
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]-N-methylaniline
CID 102949561
4-(2,4-dichlorophenyl)-6-methoxypyrimidine
CID 50971015
5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 28529083
4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904552
2-[4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496465
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
5-chloro-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104788809
5-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103372807

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 102949514) is 5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline is COc1cc(-c2noc(-c3ccc(Cl)cc3N)n2)ncn1.
What is the InChIKey of 5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is SEPIEWMDUHATIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O2/c1-20-11-5-10(16-6-17-11)12-18-13(21-19-12)8-3-2-7(14)4-9(8)15/h2-6H,15H2,1H3.
What are the key properties of 5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 303.71 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 102949514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).