2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole

C30H24N6O3 — CID 135250784

IUPAC2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(C2=NCCO2)cc(-c2nc(-c3cccc(C4=NCCO4)c3)nc(-c3cccc(C4=NCCO4)c3)n2)c1
InChIInChI=1S/C30H24N6O3/c1-4-19(16-22(7-1)28-31-10-13-37-28)25-34-26(20-5-2-8-23(17-20)29-32-11-14-38-29)36-27(35-25)21-6-3-9-24(18-21)30-33-12-15-39-30/h1-9,16-18H,10-15H2
InChIKeyZIGULJWCZZADNK-UHFFFAOYSA-N
MW516.56 g/mol
LogP4.20
Rot. Bonds6

About 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole

2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 135250784) has the molecular formula C30H24N6O3 and a molecular weight of 516.56 g/mol. Its IUPAC name is 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID135250784
Molecular FormulaC30H24N6O3
Molecular Weight516.56 g/mol
Exact Mass516.19
IUPAC Name2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(C2=NCCO2)cc(-c2nc(-c3cccc(C4=NCCO4)c3)nc(-c3cccc(C4=NCCO4)c3)n2)c1
InChIInChI=1S/C30H24N6O3/c1-4-19(16-22(7-1)28-31-10-13-37-28)25-34-26(20-5-2-8-23(17-20)29-32-11-14-38-29)36-27(35-25)21-6-3-9-24(18-21)30-33-12-15-39-30/h1-9,16-18H,10-15H2
InChIKeyZIGULJWCZZADNK-UHFFFAOYSA-N
XLogP4.20
TPSA103.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.56
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117328775
3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide
CID 173139178
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 122675664
2,4-diphenyl-6-[3-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167415087
2,4-diphenyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,5-triazine
CID 122470021
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole (CID 135250784) is 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole is c1cc(C2=NCCO2)cc(-c2nc(-c3cccc(C4=NCCO4)c3)nc(-c3cccc(C4=NCCO4)c3)n2)c1.
What is the InChIKey of 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZIGULJWCZZADNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O3/c1-4-19(16-22(7-1)28-31-10-13-37-28)25-34-26(20-5-2-8-23(17-20)29-32-11-14-38-29)36-27(35-25)21-6-3-9-24(18-21)30-33-12-15-39-30/h1-9,16-18H,10-15H2.
What are the key properties of 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 516.56 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135250784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).