2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole

C35H31N7O2 — CID 135250643

IUPAC2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5=NCC(C)(C)O5)cn4)n3)nc2)O1
InChIInChI=1S/C35H31N7O2/c1-34(2)20-38-32(43-34)25-14-16-27(36-18-25)30-40-29(24-12-10-23(11-13-24)22-8-6-5-7-9-22)41-31(42-30)28-17-15-26(19-37-28)33-39-21-35(3,4)44-33/h5-19H,20-21H2,1-4H3
InChIKeyTZRZLOQFHNHGSR-UHFFFAOYSA-N
MW581.68 g/mol
LogP6.44
Rot. Bonds6

About 2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole

2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 135250643) has the molecular formula C35H31N7O2 and a molecular weight of 581.68 g/mol. Its IUPAC name is 2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
PubChem CID135250643
Molecular FormulaC35H31N7O2
Molecular Weight581.68 g/mol
Exact Mass581.25
IUPAC Name2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5=NCC(C)(C)O5)cn4)n3)nc2)O1
InChIInChI=1S/C35H31N7O2/c1-34(2)20-38-32(43-34)25-14-16-27(36-18-25)30-40-29(24-12-10-23(11-13-24)22-8-6-5-7-9-22)41-31(42-30)28-17-15-26(19-37-28)33-39-21-35(3,4)44-33/h5-19H,20-21H2,1-4H3
InChIKeyTZRZLOQFHNHGSR-UHFFFAOYSA-N
XLogP6.44
TPSA107.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.68
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (CID 135250643) is 2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5=NCC(C)(C)O5)cn4)n3)nc2)O1.
What is the InChIKey of 2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is TZRZLOQFHNHGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N7O2/c1-34(2)20-38-32(43-34)25-14-16-27(36-18-25)30-40-29(24-12-10-23(11-13-24)22-8-6-5-7-9-22)41-31(42-30)28-17-15-26(19-37-28)33-39-21-35(3,4)44-33/h5-19H,20-21H2,1-4H3.
What are the key properties of 2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 581.68 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 135250643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).