3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine

C13H10ClN5O — CID 144518994

IUPAC3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine
SMILESCc1cc(-c2cc(-c3noc(N)n3)ncn2)ccc1Cl
InChIInChI=1S/C13H10ClN5O/c1-7-4-8(2-3-9(7)14)10-5-11(17-6-16-10)12-18-13(15)20-19-12/h2-6H,1H3,(H2,15,18,19)
InChIKeyUOWVIZXBCXTURY-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.74
Rot. Bonds2

About 3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine

3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine (PubChem CID 144518994) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine
PubChem CID144518994
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine
SMILESCc1cc(-c2cc(-c3noc(N)n3)ncn2)ccc1Cl
InChIInChI=1S/C13H10ClN5O/c1-7-4-8(2-3-9(7)14)10-5-11(17-6-16-10)12-18-13(15)20-19-12/h2-6H,1H3,(H2,15,18,19)
InChIKeyUOWVIZXBCXTURY-UHFFFAOYSA-N
XLogP2.74
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine (CID 144518994) is 3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine is Cc1cc(-c2cc(-c3noc(N)n3)ncn2)ccc1Cl.
What is the InChIKey of 3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine?
The InChIKey is UOWVIZXBCXTURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c1-7-4-8(2-3-9(7)14)10-5-11(17-6-16-10)12-18-13(15)20-19-12/h2-6H,1H3,(H2,15,18,19).
What are the key properties of 3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine?
3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine has a molecular weight of 287.71 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 144518994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).