5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine

C15H12Cl2N4O — CID 14951344

IUPAC5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Cl)c(Nc2ccccc2-c2nnc(N)o2)c1Cl
InChIInChI=1S/C15H12Cl2N4O/c1-8-6-7-10(16)13(12(8)17)19-11-5-3-2-4-9(11)14-20-21-15(18)22-14/h2-7,19H,1H3,(H2,18,21)
InChIKeyXZWQOLIZRRFUAN-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.68
Rot. Bonds3

About 5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine

5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 14951344) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is 5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID14951344
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Cl)c(Nc2ccccc2-c2nnc(N)o2)c1Cl
InChIInChI=1S/C15H12Cl2N4O/c1-8-6-7-10(16)13(12(8)17)19-11-5-3-2-4-9(11)14-20-21-15(18)22-14/h2-7,19H,1H3,(H2,18,21)
InChIKeyXZWQOLIZRRFUAN-UHFFFAOYSA-N
XLogP4.68
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine (CID 14951344) is 5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(N)o2)c1Cl.
What is the InChIKey of 5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XZWQOLIZRRFUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c1-8-6-7-10(16)13(12(8)17)19-11-5-3-2-4-9(11)14-20-21-15(18)22-14/h2-7,19H,1H3,(H2,18,21).
What are the key properties of 5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine?
5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 335.19 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-dichloro-3-methylanilino)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 14951344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).