2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole

C40H46N8O3 — CID 135250769

IUPAC2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole
SMILESCC1(C)N=C(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)nc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C
InChIInChI=1S/C40H46N8O3/c1-35(2)38(7,8)49-32(46-35)26-13-23(17-41-20-26)29-16-30(24-14-27(21-42-18-24)33-47-36(3,4)39(9,10)50-33)45-31(44-29)25-15-28(22-43-19-25)34-48-37(5,6)40(11,12)51-34/h13-22H,1-12H3
InChIKeyZWKCFRNIHGRHIQ-UHFFFAOYSA-N
MW686.86 g/mol
LogP7.66
Rot. Bonds6

About 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole

2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole (PubChem CID 135250769) has the molecular formula C40H46N8O3 and a molecular weight of 686.86 g/mol. Its IUPAC name is 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole
PubChem CID135250769
Molecular FormulaC40H46N8O3
Molecular Weight686.86 g/mol
Exact Mass686.37
IUPAC Name2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole
SMILESCC1(C)N=C(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)nc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C
InChIInChI=1S/C40H46N8O3/c1-35(2)38(7,8)49-32(46-35)26-13-23(17-41-20-26)29-16-30(24-14-27(21-42-18-24)33-47-36(3,4)39(9,10)50-33)45-31(44-29)25-15-28(22-43-19-25)34-48-37(5,6)40(11,12)51-34/h13-22H,1-12H3
InChIKeyZWKCFRNIHGRHIQ-UHFFFAOYSA-N
XLogP7.66
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole with MolForge

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Related Compounds

2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine
CID 135250773
2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
CID 58090461
2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250578
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
CID 102345540
2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 176586529
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264945
4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole
CID 135249789
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632880
4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine
CID 115915028
2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]pyrimidine
CID 135250723

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole?
The IUPAC name of 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole (CID 135250769) is 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole.
What is the SMILES notation for 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole?
The canonical SMILES for 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole is CC1(C)N=C(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)nc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C.
What is the InChIKey of 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole?
The InChIKey is ZWKCFRNIHGRHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N8O3/c1-35(2)38(7,8)49-32(46-35)26-13-23(17-41-20-26)29-16-30(24-14-27(21-42-18-24)33-47-36(3,4)39(9,10)50-33)45-31(44-29)25-15-28(22-43-19-25)34-48-37(5,6)40(11,12)51-34/h13-22H,1-12H3.
What are the key properties of 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole?
2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole has a molecular weight of 686.86 g/mol, XLogP of 7.66, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole is sourced from PubChem (CID 135250769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).