4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline

C24H21FN2O2 — CID 25211865

IUPAC4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(-c3nc4cc(OCCF)ccc4o3)cc2)cc1
InChIInChI=1S/C24H21FN2O2/c1-26-20-10-6-18(7-11-20)3-2-17-4-8-19(9-5-17)24-27-22-16-21(28-15-14-25)12-13-23(22)29-24/h2-13,16,26H,14-15H2,1H3/b3-2+
InChIKeyUEXBKGNJRYSXDK-NSCUHMNNSA-N
MW388.44 g/mol
LogP6.06
Rot. Bonds7

About 4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline

4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline (PubChem CID 25211865) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
PubChem CID25211865
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(-c3nc4cc(OCCF)ccc4o3)cc2)cc1
InChIInChI=1S/C24H21FN2O2/c1-26-20-10-6-18(7-11-20)3-2-17-4-8-19(9-5-17)24-27-22-16-21(28-15-14-25)12-13-23(22)29-24/h2-13,16,26H,14-15H2,1H3/b3-2+
InChIKeyUEXBKGNJRYSXDK-NSCUHMNNSA-N
XLogP6.06
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

BI 99179
CID 51346964
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
2-p-Tolylbenzoxazole
CID 70039
2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
CID 118870
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744
2-(4-Biphenyl)-6-phenylbenzoxazole
CID 86930
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
3-((7-Methyl-Benzoxazol-2-ylmethyl)amino)-5-ethyl-6-methlpyridin-2(1H)-one
CID 453443
2-(3-Fluoro-4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135528620
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-butyramide
CID 9970584
N-{3-[2-(4-Phenyl-butyl)-benzooxazol-7-yl]-propyl}-propionamide
CID 10361427
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline (CID 25211865) is 4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2ccc(-c3nc4cc(OCCF)ccc4o3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline?
The InChIKey is UEXBKGNJRYSXDK-NSCUHMNNSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-26-20-10-6-18(7-11-20)3-2-17-4-8-19(9-5-17)24-27-22-16-21(28-15-14-25)12-13-23(22)29-24/h2-13,16,26H,14-15H2,1H3/b3-2+.
What are the key properties of 4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline?
4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline has a molecular weight of 388.44 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 25211865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).