1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol

C16H13NO4 — CID 66461659

IUPAC1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol
SMILESOC(Cc1nc2ccccc2o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H13NO4/c18-12(10-5-6-14-15(7-10)20-9-19-14)8-16-17-11-3-1-2-4-13(11)21-16/h1-7,12,18H,8-9H2
InChIKeyFUMJEPBWSZDXPD-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.83
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol

1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol (PubChem CID 66461659) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol
PubChem CID66461659
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol
SMILESOC(Cc1nc2ccccc2o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H13NO4/c18-12(10-5-6-14-15(7-10)20-9-19-14)8-16-17-11-3-1-2-4-13(11)21-16/h1-7,12,18H,8-9H2
InChIKeyFUMJEPBWSZDXPD-UHFFFAOYSA-N
XLogP2.83
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine
CID 43118553
2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol
CID 66460868
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazole
CID 8023046
(1R)-1-(1,3-benzodioxol-5-yl)-2-chloroethanol
CID 93182688
1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
CID 18972190
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzamide
CID 35074247
1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol
CID 107307427
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)ethanol
CID 61088239
N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzoxazol-2-amine
CID 33286552
2-aminooxy-1-(1,3-benzodioxol-5-yl)ethanol
CID 82112199

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol (CID 66461659) is 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol is OC(Cc1nc2ccccc2o1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol?
The InChIKey is FUMJEPBWSZDXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-12(10-5-6-14-15(7-10)20-9-19-14)8-16-17-11-3-1-2-4-13(11)21-16/h1-7,12,18H,8-9H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol?
1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol has a molecular weight of 283.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol is sourced from PubChem (CID 66461659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).