4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole

C28H23N3O2 — CID 118721631

IUPAC4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3ccc(-c4c(C)noc4C)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H23N3O2/c1-18-27(19(2)33-31-18)22-11-9-20(10-12-22)25-17-26(21-13-15-24(32-3)16-14-21)30-28(29-25)23-7-5-4-6-8-23/h4-17H,1-3H3
InChIKeyBSEDFDUBGPNTBG-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.76
Rot. Bonds5

About 4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole

4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 118721631) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
PubChem CID118721631
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC Name4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3ccc(-c4c(C)noc4C)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H23N3O2/c1-18-27(19(2)33-31-18)22-11-9-20(10-12-22)25-17-26(21-13-15-24(32-3)16-14-21)30-28(29-25)23-7-5-4-6-8-23/h4-17H,1-3H3
InChIKeyBSEDFDUBGPNTBG-UHFFFAOYSA-N
XLogP6.76
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
CID 131698334
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
CID 142176460
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyanilino)benzonitrile
CID 126602162
5-methoxy-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-4-phenylphenol
CID 142932039
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611
4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine
CID 12703705
4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 91804006
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649159

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole (CID 118721631) is 4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole is COc1ccc(-c2cc(-c3ccc(-c4c(C)noc4C)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is BSEDFDUBGPNTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c1-18-27(19(2)33-31-18)22-11-9-20(10-12-22)25-17-26(21-13-15-24(32-3)16-14-21)30-28(29-25)23-7-5-4-6-8-23/h4-17H,1-3H3.
What are the key properties of 4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole?
4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 433.51 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 118721631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).