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

C16H14N2O3 — CID 43118553

IUPAC1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine
SMILESNC(Cc1nc2ccccc2o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H14N2O3/c17-11(10-5-6-14-15(7-10)20-9-19-14)8-16-18-12-3-1-2-4-13(12)21-16/h1-7,11H,8-9,17H2
InChIKeyHNRYFOFVFVDVQV-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.80
Rot. Bonds3

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

1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine (PubChem CID 43118553) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine
PubChem CID43118553
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine
SMILESNC(Cc1nc2ccccc2o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H14N2O3/c17-11(10-5-6-14-15(7-10)20-9-19-14)8-16-18-12-3-1-2-4-13(12)21-16/h1-7,11H,8-9,17H2
InChIKeyHNRYFOFVFVDVQV-UHFFFAOYSA-N
XLogP2.80
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.80
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)ethanol
CID 66461659
2-(1,3-benzoxazol-2-yl)-1-(3,5-dibromophenyl)ethanamine
CID 107980650
2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazole
CID 8023046
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
CID 142930322
2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43118536
1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703
1-(1,3-benzodioxol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 62539511
N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzoxazol-2-amine
CID 33286552
3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
CID 43865922
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
2-(2-bromo-2-phenylethyl)-1,3-benzoxazole
CID 66458807

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine (CID 43118553) is 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine is NC(Cc1nc2ccccc2o1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine?
The InChIKey is HNRYFOFVFVDVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-11(10-5-6-14-15(7-10)20-9-19-14)8-16-18-12-3-1-2-4-13(12)21-16/h1-7,11H,8-9,17H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine?
1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine has a molecular weight of 282.30 g/mol, XLogP of 2.80, 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)ethanamine is sourced from PubChem (CID 43118553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).