1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine

C17H15FN2O — CID 82357595

IUPAC1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine
SMILESCNCc1ccc2nc(/C=C/c3ccc(F)cc3)oc2c1
InChIInChI=1S/C17H15FN2O/c1-19-11-13-4-8-15-16(10-13)21-17(20-15)9-5-12-2-6-14(18)7-3-12/h2-10,19H,11H2,1H3/b9-5+
InChIKeyDSXYJFJVGYJYBO-WEVVVXLNSA-N
MW282.32 g/mol
LogP3.86
Rot. Bonds4

About 1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine

1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine (PubChem CID 82357595) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine
PubChem CID82357595
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine
SMILESCNCc1ccc2nc(/C=C/c3ccc(F)cc3)oc2c1
InChIInChI=1S/C17H15FN2O/c1-19-11-13-4-8-15-16(10-13)21-17(20-15)9-5-12-2-6-14(18)7-3-12/h2-10,19H,11H2,1H3/b9-5+
InChIKeyDSXYJFJVGYJYBO-WEVVVXLNSA-N
XLogP3.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole
CID 6214674
4-[(E)-2-[6-(4-fluorobutoxy)-1,3-benzoxazol-2-yl]ethenyl]-N-methylaniline
CID 142842122
N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine
CID 82357586
2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol
CID 69474101
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248
[2-[(Z)-2-(furan-2-yl)ethenyl]-1,3-benzoxazol-6-yl]methanol
CID 82357834
N,N-dimethyl-4-[2-[6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,3-benzoxazol-2-yl]ethenyl]aniline
CID 74324398
6-ethyl-1,3-benzoxazole-2-carbaldehyde
CID 130870252
tributyl-[2-[(E)-2-phenylethenyl]-1,3-benzoxazol-6-yl]stannane
CID 177401791
[2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol
CID 82357890
5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 59970333
1-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-yl]propan-2-yloxy]-2-methylpropan-2-ol
CID 89382995

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine (CID 82357595) is 1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine is CNCc1ccc2nc(/C=C/c3ccc(F)cc3)oc2c1.
What is the InChIKey of 1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine?
The InChIKey is DSXYJFJVGYJYBO-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-19-11-13-4-8-15-16(10-13)21-17(20-15)9-5-12-2-6-14(18)7-3-12/h2-10,19H,11H2,1H3/b9-5+.
What are the key properties of 1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine?
1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine has a molecular weight of 282.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazol-6-yl]-N-methylmethanamine is sourced from PubChem (CID 82357595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).