2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol

C23H20N2O2 — CID 25211972

IUPAC2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol
SMILESCN(C)c1ccc(/C=C/c2ccc(-c3nc4ccc(O)cc4o3)cc2)cc1
InChIInChI=1S/C23H20N2O2/c1-25(2)19-11-7-17(8-12-19)4-3-16-5-9-18(10-6-16)23-24-21-14-13-20(26)15-22(21)27-23/h3-15,26H,1-2H3/b4-3+
InChIKeyMRVSBIUCJCOQKD-ONEGZZNKSA-N
MW356.43 g/mol
LogP5.44
Rot. Bonds4

About 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol

2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol (PubChem CID 25211972) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol
PubChem CID25211972
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol
SMILESCN(C)c1ccc(/C=C/c2ccc(-c3nc4ccc(O)cc4o3)cc2)cc1
InChIInChI=1S/C23H20N2O2/c1-25(2)19-11-7-17(8-12-19)4-3-16-5-9-18(10-6-16)23-24-21-14-13-20(26)15-22(21)27-23/h3-15,26H,1-2H3/b4-3+
InChIKeyMRVSBIUCJCOQKD-ONEGZZNKSA-N
XLogP5.44
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol
CID 69474101
4-[(E)-2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline
CID 25211870
6-phenyl-2-[4-[(E)-2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 23146226
6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 68836717
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one
CID 15683779
4-[(E)-2-[3-(1,3-benzoxazol-2-yl)-1-methylpyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline
CID 12597871
2-[[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 1101456
4-[2-[4-[(E)-2-[4-[(E)-2-[4-[4-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-dimethylaniline
CID 58939652
4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 91684357
4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
CID 135522275
2-[4-(dimethylamino)phenyl]quinolin-6-ol
CID 46931569
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol?
The IUPAC name of 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol (CID 25211972) is 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol is CN(C)c1ccc(/C=C/c2ccc(-c3nc4ccc(O)cc4o3)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol?
The InChIKey is MRVSBIUCJCOQKD-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-25(2)19-11-7-17(8-12-19)4-3-16-5-9-18(10-6-16)23-24-21-14-13-20(26)15-22(21)27-23/h3-15,26H,1-2H3/b4-3+.
What are the key properties of 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol?
2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol has a molecular weight of 356.43 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol is sourced from PubChem (CID 25211972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).