2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole

C22H17NO — CID 3914706

IUPAC2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
SMILESCc1cccc(C=Cc2nc3cc(-c4ccccc4)ccc3o2)c1
InChIInChI=1S/C22H17NO/c1-16-6-5-7-17(14-16)10-13-22-23-20-15-19(11-12-21(20)24-22)18-8-3-2-4-9-18/h2-15H,1H3
InChIKeyXGCMPRHOTGZQNL-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.97
Rot. Bonds3

About 2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole

2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole (PubChem CID 3914706) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
PubChem CID3914706
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
SMILESCc1cccc(C=Cc2nc3cc(-c4ccccc4)ccc3o2)c1
InChIInChI=1S/C22H17NO/c1-16-6-5-7-17(14-16)10-13-22-23-20-15-19(11-12-21(20)24-22)18-8-3-2-4-9-18/h2-15H,1H3
InChIKeyXGCMPRHOTGZQNL-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

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Related Compounds

5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 5240283
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 4222558
N,N-dimethyl-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3723624
N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide
CID 8860520
2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole
CID 23025902
5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 6006710
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248
2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 6437308
N-methyl-2-nitro-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 22829716

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole?
The IUPAC name of 2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole (CID 3914706) is 2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole is Cc1cccc(C=Cc2nc3cc(-c4ccccc4)ccc3o2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole?
The InChIKey is XGCMPRHOTGZQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-16-6-5-7-17(14-16)10-13-22-23-20-15-19(11-12-21(20)24-22)18-8-3-2-4-9-18/h2-15H,1H3.
What are the key properties of 2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole?
2-[2-(3-methylphenyl)ethenyl]-5-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 2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole is sourced from PubChem (CID 3914706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).