1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol

C17H12N2O3 — CID 11231642

IUPAC1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol
SMILESC=CC(O)(c1nc2ccccc2o1)c1nc2ccccc2o1
InChIInChI=1S/C17H12N2O3/c1-2-17(20,15-18-11-7-3-5-9-13(11)21-15)16-19-12-8-4-6-10-14(12)22-16/h2-10,20H,1H2
InChIKeyQCIMADXTJUYAFO-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.39
Rot. Bonds3

About 1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol

1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol (PubChem CID 11231642) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol
PubChem CID11231642
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol
SMILESC=CC(O)(c1nc2ccccc2o1)c1nc2ccccc2o1
InChIInChI=1S/C17H12N2O3/c1-2-17(20,15-18-11-7-3-5-9-13(11)21-15)16-19-12-8-4-6-10-14(12)22-16/h2-10,20H,1H2
InChIKeyQCIMADXTJUYAFO-UHFFFAOYSA-N
XLogP3.39
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethane-1,1-diol
CID 119082013
1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol
CID 150066000
2-[bromo(difluoro)methyl]-1,3-benzoxazole
CID 10681971
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole
CID 87259215
2-(2-methyl-1-methylsulfanylpropan-2-yl)-1,3-benzoxazole
CID 10489184
2-(3-methylpentan-3-yl)-1,3-benzoxazole
CID 70835474
2-methyl-1,3-benzoxazole;prop-1-ene
CID 178101004
(1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol
CID 171485639
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone
CID 5278386
2-(2-methylpentan-2-yl)-1,3-benzoxazole
CID 139407128
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole
CID 167547125
2,2-bis(1,3-benzoxazol-2-yl)ethenol
CID 135451442

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol?
The IUPAC name of 1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol (CID 11231642) is 1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol?
The canonical SMILES for 1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol is C=CC(O)(c1nc2ccccc2o1)c1nc2ccccc2o1.
What is the InChIKey of 1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol?
The InChIKey is QCIMADXTJUYAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-2-17(20,15-18-11-7-3-5-9-13(11)21-15)16-19-12-8-4-6-10-14(12)22-16/h2-10,20H,1H2.
What are the key properties of 1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol?
1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol has a molecular weight of 292.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 11231642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).