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

C26H21N5O3 — CID 22459706

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(OCc3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cnco1
InChIInChI=1S/C26H21N5O3/c1-32-22-14-20(12-13-21(22)23-15-27-17-34-23)28-25-29-24(19-10-6-3-7-11-19)30-26(31-25)33-16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,28,29,30,31)
InChIKeyZXYOLSHRFNIZNS-UHFFFAOYSA-N
MW451.49 g/mol
LogP5.52
Rot. Bonds8

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

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine (PubChem CID 22459706) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine
PubChem CID22459706
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(OCc3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cnco1
InChIInChI=1S/C26H21N5O3/c1-32-22-14-20(12-13-21(22)23-15-27-17-34-23)28-25-29-24(19-10-6-3-7-11-19)30-26(31-25)33-16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,28,29,30,31)
InChIKeyZXYOLSHRFNIZNS-UHFFFAOYSA-N
XLogP5.52
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.49
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine (CID 22459706) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine is COc1cc(Nc2nc(OCc3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine?
The InChIKey is ZXYOLSHRFNIZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-32-22-14-20(12-13-21(22)23-15-27-17-34-23)28-25-29-24(19-10-6-3-7-11-19)30-26(31-25)33-16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,28,29,30,31).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine has a molecular weight of 451.49 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-6-phenylmethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 22459706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).