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

C37H33N5O2 — CID 135250632

IUPAC2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(C5=NCC(C)(C)O5)cn4)n3)nc2)O1
InChIInChI=1S/C37H33N5O2/c1-36(2)22-40-34(43-36)27-14-16-30(38-20-27)32-18-29(26-12-10-25(11-13-26)24-8-6-5-7-9-24)19-33(42-32)31-17-15-28(21-39-31)35-41-23-37(3,4)44-35/h5-21H,22-23H2,1-4H3
InChIKeyZPDQOMWQXUNVTA-UHFFFAOYSA-N
MW579.70 g/mol
LogP7.65
Rot. Bonds6

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

2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 135250632) has the molecular formula C37H33N5O2 and a molecular weight of 579.70 g/mol. Its IUPAC name is 2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
PubChem CID135250632
Molecular FormulaC37H33N5O2
Molecular Weight579.70 g/mol
Exact Mass579.26
IUPAC Name2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(C5=NCC(C)(C)O5)cn4)n3)nc2)O1
InChIInChI=1S/C37H33N5O2/c1-36(2)22-40-34(43-36)27-14-16-30(38-20-27)32-18-29(26-12-10-25(11-13-26)24-8-6-5-7-9-24)19-33(42-32)31-17-15-28(21-39-31)35-41-23-37(3,4)44-35/h5-21H,22-23H2,1-4H3
InChIKeyZPDQOMWQXUNVTA-UHFFFAOYSA-N
XLogP7.65
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

(2-Bis(2-pyridyl)(methoxy)methyl-6-pyridylpyridine)
CID 132280725
1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 71233567
(Z)-1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine
CID 87616446
(E)-1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine
CID 87616958
1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine
CID 91295250
(2S)-3,3-difluoro-2-(2-fluoro-4-methylphenyl)-2-methoxy-3-[5-(4-methylphenyl)-2-pyridinyl]propanenitrile;(2R)-2-(2,4-difluorophenyl)-3,3-difluoro-2-methoxy-3-[5-(4-methylphenyl)-2-pyridinyl]propanenitrile
CID 159977230
2-Ethyl-5-(propan-2-yloxymethyl)pyridine;bis(1-methyl-4-(propan-2-yloxymethyl)benzene);1-methyl-4-(propan-2-yloxymethyl)piperidine;1-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)pyrrole;3-(propan-2-yloxymethyl)pyridine
CID 161889331
[4-(2,6-Dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate
CID 24829376
5-[3-Ethynyl-5-(hexoxymethyl)phenyl]-2-[5-[3-ethynyl-5-(hexoxymethyl)phenyl]-2-pyridinyl]pyridine
CID 86048374
7-Methyl-4,6-dipyridin-2-yl-1,3-dihydrofuro[3,4-c]pyridine
CID 101444903
4-(5'-(4-(3,7,11,14,17-Pentaoxa-5(2,6)-pyridina-1,9(1,4)-dibenzenacyclooctadecaphane-54-yl)phenyl)-[2,2'-bipyridin]-5-yl)aniline
CID 121494220
4-(5'-(3,7,11,14,17-Pentaoxa-5(2,6)-pyridina-1,9(1,4)-dibenzenacyclooctadecaphane-54-ylethynyl)-[2,2'-bipyridin]-5-yl)aniline
CID 121494222

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (CID 135250632) is 2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(C5=NCC(C)(C)O5)cn4)n3)nc2)O1.
What is the InChIKey of 2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is ZPDQOMWQXUNVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N5O2/c1-36(2)22-40-34(43-36)27-14-16-30(38-20-27)32-18-29(26-12-10-25(11-13-26)24-8-6-5-7-9-24)19-33(42-32)31-17-15-28(21-39-31)35-41-23-37(3,4)44-35/h5-21H,22-23H2,1-4H3.
What are the key properties of 2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 579.70 g/mol, XLogP of 7.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 135250632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).