4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole

C26H19NO — CID 163632646

IUPAC4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole
SMILESCc1cccc2oc(-c3ccc(-c4cccc(-c5ccccc5)c4)cc3)nc12
InChIInChI=1S/C26H19NO/c1-18-7-5-12-24-25(18)27-26(28-24)21-15-13-20(14-16-21)23-11-6-10-22(17-23)19-8-3-2-4-9-19/h2-17H,1H3
InChIKeyMTKICHAAEDWZDO-UHFFFAOYSA-N
MW361.44 g/mol
LogP7.14
Rot. Bonds3

About 4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole

4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole (PubChem CID 163632646) has the molecular formula C26H19NO and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole
PubChem CID163632646
Molecular FormulaC26H19NO
Molecular Weight361.44 g/mol
Exact Mass361.15
IUPAC Name4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole
SMILESCc1cccc2oc(-c3ccc(-c4cccc(-c5ccccc5)c4)cc3)nc12
InChIInChI=1S/C26H19NO/c1-18-7-5-12-24-25(18)27-26(28-24)21-15-13-20(14-16-21)23-11-6-10-22(17-23)19-8-3-2-4-9-19/h2-17H,1H3
InChIKeyMTKICHAAEDWZDO-UHFFFAOYSA-N
XLogP7.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(chloromethyl)phenyl]-4-methyl-1,3-benzoxazole
CID 54909666
2-phenyl-4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 147571210
6-methoxy-4-methyl-2-phenyl-1,3-benzoxazole
CID 135041622
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
methyl 3-(4-methyl-1,3-benzoxazol-2-yl)benzoate
CID 67279845
[3-[3-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056269
7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
2-bromo-4-methyl-1,3-benzoxazole
CID 83754437
4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 82231763
2-[4-(diethoxyphosphorylmethyl)phenyl]-4-methyl-1,3-benzoxazole
CID 54151286
7-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzoxazole
CID 138633590
2-phenyl-1,3-benzoxazole-4-carbaldehyde
CID 15005905

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole (CID 163632646) is 4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole is Cc1cccc2oc(-c3ccc(-c4cccc(-c5ccccc5)c4)cc3)nc12.
What is the InChIKey of 4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole?
The InChIKey is MTKICHAAEDWZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO/c1-18-7-5-12-24-25(18)27-26(28-24)21-15-13-20(14-16-21)23-11-6-10-22(17-23)19-8-3-2-4-9-19/h2-17H,1H3.
What are the key properties of 4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole?
4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole has a molecular weight of 361.44 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 163632646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).