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

C23H22N6O3 — CID 22459655

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(-c3ccccc3)nc(N3CCOCC3)n2)ccc1-c1cnco1
InChIInChI=1S/C23H22N6O3/c1-30-19-13-17(7-8-18(19)20-14-24-15-32-20)25-22-26-21(16-5-3-2-4-6-16)27-23(28-22)29-9-11-31-12-10-29/h2-8,13-15H,9-12H2,1H3,(H,25,26,27,28)
InChIKeyVPINGRSDCMEKHV-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.78
Rot. Bonds6

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

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 22459655) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine
PubChem CID22459655
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(-c3ccccc3)nc(N3CCOCC3)n2)ccc1-c1cnco1
InChIInChI=1S/C23H22N6O3/c1-30-19-13-17(7-8-18(19)20-14-24-15-32-20)25-22-26-21(16-5-3-2-4-6-16)27-23(28-22)29-9-11-31-12-10-29/h2-8,13-15H,9-12H2,1H3,(H,25,26,27,28)
InChIKeyVPINGRSDCMEKHV-UHFFFAOYSA-N
XLogP3.78
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine (CID 22459655) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-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-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine is COc1cc(Nc2nc(-c3ccccc3)nc(N3CCOCC3)n2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is VPINGRSDCMEKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-30-19-13-17(7-8-18(19)20-14-24-15-32-20)25-22-26-21(16-5-3-2-4-6-16)27-23(28-22)29-9-11-31-12-10-29/h2-8,13-15H,9-12H2,1H3,(H,25,26,27,28).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 430.47 g/mol, XLogP of 3.78, 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-morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 22459655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).