7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole

C20H15NO — CID 15259011

IUPAC7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
SMILESCc1cccc2nc(-c3ccc(-c4ccccc4)cc3)oc12
InChIInChI=1S/C20H15NO/c1-14-6-5-9-18-19(14)22-20(21-18)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyIEHGYWSTKSSMPV-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.47
Rot. Bonds2

About 7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole

7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole (PubChem CID 15259011) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
PubChem CID15259011
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
SMILESCc1cccc2nc(-c3ccc(-c4ccccc4)cc3)oc12
InChIInChI=1S/C20H15NO/c1-14-6-5-9-18-19(14)22-20(21-18)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyIEHGYWSTKSSMPV-UHFFFAOYSA-N
XLogP5.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
CID 145409461
4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228382
7-tert-butyl-2-phenyl-1,3-benzoxazole
CID 175772707
N-methyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine
CID 142272205
N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine
CID 59679624
5,7-dimethyl-2-[4-[(E)-2-(4-phenylphenyl)ethenyl]phenyl]-1,3-benzoxazole
CID 6441624
2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole
CID 57321541
5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512133
2-phenyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 146719610
N-phenyl-3-(2-phenyl-1,3-benzoxazol-7-yl)-N-(4-phenylphenyl)aniline
CID 176785674
2-phenyl-7-[2-[(2-phenyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-1,3-benzoxazole
CID 101078184
2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline
CID 4541188

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole?
The IUPAC name of 7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole (CID 15259011) is 7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole?
The canonical SMILES for 7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole is Cc1cccc2nc(-c3ccc(-c4ccccc4)cc3)oc12.
What is the InChIKey of 7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole?
The InChIKey is IEHGYWSTKSSMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c1-14-6-5-9-18-19(14)22-20(21-18)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-13H,1H3.
What are the key properties of 7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole?
7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole has a molecular weight of 285.35 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 15259011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).