2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine

C19H16FN7O2 — CID 66802887

IUPAC2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3F)n2)no1
InChIInChI=1S/C19H16FN7O2/c1-27(13-9-5-4-8-12(13)20)19-24-15(23-18(21)25-19)16-22-17(29-26-16)11-7-3-6-10-14(11)28-2/h3-10H,1-2H3,(H2,21,23,24,25)
InChIKeyCDMWRSAOKMJMJA-UHFFFAOYSA-N
MW393.38 g/mol
LogP3.09
Rot. Bonds5

About 2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine

2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 66802887) has the molecular formula C19H16FN7O2 and a molecular weight of 393.38 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID66802887
Molecular FormulaC19H16FN7O2
Molecular Weight393.38 g/mol
Exact Mass393.13
IUPAC Name2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3F)n2)no1
InChIInChI=1S/C19H16FN7O2/c1-27(13-9-5-4-8-12(13)20)19-24-15(23-18(21)25-19)16-22-17(29-26-16)11-7-3-6-10-14(11)28-2/h3-10H,1-2H3,(H2,21,23,24,25)
InChIKeyCDMWRSAOKMJMJA-UHFFFAOYSA-N
XLogP3.09
TPSA116.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-N-(2-chlorophenyl)-2-N-methyl-6-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 56941264
6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80818336
6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 66803409
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
2-N-(2,5-difluorophenyl)-2-N-methyl-6-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 66807460
5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811619
6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80816535
[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 16767461
2-N-methyl-6-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 66802718
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62594321
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
[3-[3-[4-amino-6-(N-methylanilino)-1,3,5-triazin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methyl methanesulfonate
CID 140664777

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 66802887) is 2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine is COc1ccccc1-c1nc(-c2nc(N)nc(N(C)c3ccccc3F)n2)no1.
What is the InChIKey of 2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CDMWRSAOKMJMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O2/c1-27(13-9-5-4-8-12(13)20)19-24-15(23-18(21)25-19)16-22-17(29-26-16)11-7-3-6-10-14(11)28-2/h3-10H,1-2H3,(H2,21,23,24,25).
What are the key properties of 2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 393.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66802887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).