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

C20H19N7O2 — CID 66803409

IUPAC6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Cc1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1
InChIInChI=1S/C20H19N7O2/c1-27(14-9-4-3-5-10-14)20-24-17(23-19(21)25-20)18-22-16(29-26-18)12-13-8-6-7-11-15(13)28-2/h3-11H,12H2,1-2H3,(H2,21,23,24,25)
InChIKeyXKLJTSWIGLXTIN-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.87
Rot. Bonds6

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

6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 66803409) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID66803409
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Cc1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1
InChIInChI=1S/C20H19N7O2/c1-27(14-9-4-3-5-10-14)20-24-17(23-19(21)25-20)18-22-16(29-26-18)12-13-8-6-7-11-15(13)28-2/h3-11H,12H2,1-2H3,(H2,21,23,24,25)
InChIKeyXKLJTSWIGLXTIN-UHFFFAOYSA-N
XLogP2.87
TPSA116.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
CID 54077737
2-N-methyl-2-N-phenyl-6-[5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 56942271
6-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 66803026
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308
[3-[4-amino-6-(N-methylanilino)-1,3,5-triazin-2-yl]-1,2,4-oxadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 56941985
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
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180
2-N-methyl-2-N-phenyl-6-[5-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 66802953
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078940
6-[5-[6-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 87158734
2-N-methyl-2-N-phenyl-6-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 66803426

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 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) is 6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is COc1ccccc1Cc1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1.
What is the InChIKey of 6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XKLJTSWIGLXTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-27(14-9-4-3-5-10-14)20-24-17(23-19(21)25-20)18-22-16(29-26-18)12-13-8-6-7-11-15(13)28-2/h3-11H,12H2,1-2H3,(H2,21,23,24,25).
What are the key properties of 6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 389.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66803409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).