2,2-bis(1,3-benzoxazol-2-yl)ethenol

C16H10N2O3 — CID 135451442

IUPAC2,2-bis(1,3-benzoxazol-2-yl)ethenol
SMILESOC=C(c1nc2ccccc2o1)c1nc2ccccc2o1
InChIInChI=1S/C16H10N2O3/c19-9-10(15-17-11-5-1-3-7-13(11)20-15)16-18-12-6-2-4-8-14(12)21-16/h1-9,19H
InChIKeyVIFINGWMTQXWAV-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.92
Rot. Bonds2

About 2,2-bis(1,3-benzoxazol-2-yl)ethenol

2,2-bis(1,3-benzoxazol-2-yl)ethenol (PubChem CID 135451442) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2,2-bis(1,3-benzoxazol-2-yl)ethenol.

Molecular Properties

Compound Name2,2-bis(1,3-benzoxazol-2-yl)ethenol
PubChem CID135451442
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name2,2-bis(1,3-benzoxazol-2-yl)ethenol
SMILESOC=C(c1nc2ccccc2o1)c1nc2ccccc2o1
InChIInChI=1S/C16H10N2O3/c19-9-10(15-17-11-5-1-3-7-13(11)20-15)16-18-12-6-2-4-8-14(12)21-16/h1-9,19H
InChIKeyVIFINGWMTQXWAV-UHFFFAOYSA-N
XLogP3.92
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(1,3-benzoxazol-2-yl)-3-hydroxyprop-2-enal
CID 2735197
(E)-2-(1,3-benzoxazol-2-yl)-3-[3-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]anilino]prop-2-enenitrile
CID 1115503
N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine
CID 137201316
2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole
CID 9038895
(Z)-4-(1,3-benzoxazol-2-yl)hex-4-en-3-one
CID 123987728
N-(diaminomethylidene)-1,3-benzoxazole-2-carboxamide
CID 155671130
2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole
CID 9038828
2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole
CID 102043111
N-sulfanyloxy-1,3-benzoxazole-2-carbothioamide
CID 88578611
(E)-2-(1,3-benzoxazol-2-yl)-3-(4-hydroxyanilino)prop-2-enenitrile
CID 16740228
4-amino-1-(1,3-benzoxazol-2-yl)butan-1-one
CID 173180639
1-(1,3-benzoxazol-2-yl)-2-[4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 12701949

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1,3-benzoxazol-2-yl)ethenol?
The IUPAC name of 2,2-bis(1,3-benzoxazol-2-yl)ethenol (CID 135451442) is 2,2-bis(1,3-benzoxazol-2-yl)ethenol.
What is the SMILES notation for 2,2-bis(1,3-benzoxazol-2-yl)ethenol?
The canonical SMILES for 2,2-bis(1,3-benzoxazol-2-yl)ethenol is OC=C(c1nc2ccccc2o1)c1nc2ccccc2o1.
What is the InChIKey of 2,2-bis(1,3-benzoxazol-2-yl)ethenol?
The InChIKey is VIFINGWMTQXWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c19-9-10(15-17-11-5-1-3-7-13(11)20-15)16-18-12-6-2-4-8-14(12)21-16/h1-9,19H.
What are the key properties of 2,2-bis(1,3-benzoxazol-2-yl)ethenol?
2,2-bis(1,3-benzoxazol-2-yl)ethenol has a molecular weight of 278.27 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1,3-benzoxazol-2-yl)ethenol is sourced from PubChem (CID 135451442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).