N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine

C24H25N7O2 — CID 22459770

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(-c3ccccc3)nc(N3CCN(C)CC3)n2)ccc1-c1cnco1
InChIInChI=1S/C24H25N7O2/c1-30-10-12-31(13-11-30)24-28-22(17-6-4-3-5-7-17)27-23(29-24)26-18-8-9-19(20(14-18)32-2)21-15-25-16-33-21/h3-9,14-16H,10-13H2,1-2H3,(H,26,27,28,29)
InChIKeyPDWFWBNOMJUEID-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.70
Rot. Bonds6

About N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 22459770) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine
PubChem CID22459770
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(-c3ccccc3)nc(N3CCN(C)CC3)n2)ccc1-c1cnco1
InChIInChI=1S/C24H25N7O2/c1-30-10-12-31(13-11-30)24-28-22(17-6-4-3-5-7-17)27-23(29-24)26-18-8-9-19(20(14-18)32-2)21-15-25-16-33-21/h3-9,14-16H,10-13H2,1-2H3,(H,26,27,28,29)
InChIKeyPDWFWBNOMJUEID-UHFFFAOYSA-N
XLogP3.70
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine (CID 22459770) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine is COc1cc(Nc2nc(-c3ccccc3)nc(N3CCN(C)CC3)n2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is PDWFWBNOMJUEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-30-10-12-31(13-11-30)24-28-22(17-6-4-3-5-7-17)27-23(29-24)26-18-8-9-19(20(14-18)32-2)21-15-25-16-33-21/h3-9,14-16H,10-13H2,1-2H3,(H,26,27,28,29).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 443.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 22459770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).