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

C17H14ClN7O2 — CID 56941264

IUPAC2-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
SMILESCc1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4Cl)n3)no2)o1
InChIInChI=1S/C17H14ClN7O2/c1-9-7-8-12(26-9)15-20-14(24-27-15)13-21-16(19)23-17(22-13)25(2)11-6-4-3-5-10(11)18/h3-8H,1-2H3,(H2,19,21,22,23)
InChIKeyPAOPBKIHIBFEMV-UHFFFAOYSA-N
MW383.80 g/mol
LogP3.49
Rot. Bonds4

About 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

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 (PubChem CID 56941264) has the molecular formula C17H14ClN7O2 and a molecular weight of 383.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID56941264
Molecular FormulaC17H14ClN7O2
Molecular Weight383.80 g/mol
Exact Mass383.09
IUPAC Name2-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
SMILESCc1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4Cl)n3)no2)o1
InChIInChI=1S/C17H14ClN7O2/c1-9-7-8-12(26-9)15-20-14(24-27-15)13-21-16(19)23-17(22-13)25(2)11-6-4-3-5-10(11)18/h3-8H,1-2H3,(H2,19,21,22,23)
InChIKeyPAOPBKIHIBFEMV-UHFFFAOYSA-N
XLogP3.49
TPSA119.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2nc(-c3nc(N)nc(N(C)c4ccccc4Cl)n3)no2)o1.
What is the InChIKey of 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?
The InChIKey is PAOPBKIHIBFEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O2/c1-9-7-8-12(26-9)15-20-14(24-27-15)13-21-16(19)23-17(22-13)25(2)11-6-4-3-5-10(11)18/h3-8H,1-2H3,(H2,19,21,22,23).
What are the key properties of 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?
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 has a molecular weight of 383.80 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 56941264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).