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

C17H16N2O2 — CID 69474101

IUPAC2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol
SMILESCN(C)c1ccc(C=Cc2nc3ccc(O)cc3o2)cc1
InChIInChI=1S/C17H16N2O2/c1-19(2)13-6-3-12(4-7-13)5-10-17-18-15-9-8-14(20)11-16(15)21-17/h3-11,20H,1-2H3
InChIKeyQBCTYWWIMNZZSO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.77
Rot. Bonds3

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

2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol (PubChem CID 69474101) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol
PubChem CID69474101
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol
SMILESCN(C)c1ccc(C=Cc2nc3ccc(O)cc3o2)cc1
InChIInChI=1S/C17H16N2O2/c1-19(2)13-6-3-12(4-7-13)5-10-17-18-15-9-8-14(20)11-16(15)21-17/h3-11,20H,1-2H3
InChIKeyQBCTYWWIMNZZSO-UHFFFAOYSA-N
XLogP3.77
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol (CID 69474101) is 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol is CN(C)c1ccc(C=Cc2nc3ccc(O)cc3o2)cc1.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol?
The InChIKey is QBCTYWWIMNZZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19(2)13-6-3-12(4-7-13)5-10-17-18-15-9-8-14(20)11-16(15)21-17/h3-11,20H,1-2H3.
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol?
2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol has a molecular weight of 280.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol is sourced from PubChem (CID 69474101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).