2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole

C23H16N2O2 — CID 6437308

IUPAC2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccc(/C=C/c4nc5ccccc5o4)cc3)nc2c1
InChIInChI=1S/C23H16N2O2/c1-15-6-12-21-19(14-15)25-23(27-21)17-10-7-16(8-11-17)9-13-22-24-18-4-2-3-5-20(18)26-22/h2-14H,1H3/b13-9+
InChIKeyDVYLUICLRMFHRU-UKTHLTGXSA-N
MW352.39 g/mol
LogP6.11
Rot. Bonds3

About 2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole

2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole (PubChem CID 6437308) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
PubChem CID6437308
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccc(/C=C/c4nc5ccccc5o4)cc3)nc2c1
InChIInChI=1S/C23H16N2O2/c1-15-6-12-21-19(14-15)25-23(27-21)17-10-7-16(8-11-17)9-13-22-24-18-4-2-3-5-20(18)26-22/h2-14H,1H3/b13-9+
InChIKeyDVYLUICLRMFHRU-UKTHLTGXSA-N
XLogP6.11
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;5-methyl-2-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole
CID 158708290
N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline
CID 25211761
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3-benzoxazole
CID 154207991
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 3914706
2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
CID 165081330
5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole (CID 6437308) is 2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole is Cc1ccc2oc(-c3ccc(/C=C/c4nc5ccccc5o4)cc3)nc2c1.
What is the InChIKey of 2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole?
The InChIKey is DVYLUICLRMFHRU-UKTHLTGXSA-N. The full InChI is InChI=1S/C23H16N2O2/c1-15-6-12-21-19(14-15)25-23(27-21)17-10-7-16(8-11-17)9-13-22-24-18-4-2-3-5-20(18)26-22/h2-14H,1H3/b13-9+.
What are the key properties of 2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole?
2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole has a molecular weight of 352.39 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 6437308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).