5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole

C22H17NO — CID 67188632

IUPAC5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccccc3C=Cc3ccccc3)nc2c1
InChIInChI=1S/C22H17NO/c1-16-11-14-21-20(15-16)23-22(24-21)19-10-6-5-9-18(19)13-12-17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyPGVFKSJDIXACKS-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.97
Rot. Bonds3

About 5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole

5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole (PubChem CID 67188632) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
PubChem CID67188632
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccccc3C=Cc3ccccc3)nc2c1
InChIInChI=1S/C22H17NO/c1-16-11-14-21-20(15-16)23-22(24-21)19-10-6-5-9-18(19)13-12-17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyPGVFKSJDIXACKS-UHFFFAOYSA-N
XLogP5.97
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole
CID 70587821
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 66632970
2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
2-[5-bromo-2-(3-phenylprop-2-enoxy)phenyl]-5-methyl-1,3-benzoxazole
CID 68525175
2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 6437308
4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole
CID 22377866
4-aminobenzoic acid;2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 175306956
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248
5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole (CID 67188632) is 5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole is Cc1ccc2oc(-c3ccccc3C=Cc3ccccc3)nc2c1.
What is the InChIKey of 5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole?
The InChIKey is PGVFKSJDIXACKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-16-11-14-21-20(15-16)23-22(24-21)19-10-6-5-9-18(19)13-12-17-7-3-2-4-8-17/h2-15H,1H3.
What are the key properties of 5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole?
5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole has a molecular weight of 311.38 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 67188632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).