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

C15H16N2O2 — CID 43118536

IUPAC2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2nc3ccccc3o2)c(C)o1
InChIInChI=1S/C15H16N2O2/c1-9-7-11(10(2)18-9)12(16)8-15-17-13-5-3-4-6-14(13)19-15/h3-7,12H,8,16H2,1-2H3
InChIKeySZSXAINEFGSBGD-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.28
Rot. Bonds3

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

2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine (PubChem CID 43118536) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
PubChem CID43118536
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2nc3ccccc3o2)c(C)o1
InChIInChI=1S/C15H16N2O2/c1-9-7-11(10(2)18-9)12(16)8-15-17-13-5-3-4-6-14(13)19-15/h3-7,12H,8,16H2,1-2H3
InChIKeySZSXAINEFGSBGD-UHFFFAOYSA-N
XLogP3.28
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-2-(2,5-dimethylfuran-3-yl)ethyl]-1,3-benzoxazole
CID 66460227
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
CID 142930322
1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
CID 61078450
2-(1,3-benzoxazol-2-yl)-1-(3,5-dibromophenyl)ethanamine
CID 107980650
1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine
CID 43118594
1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine
CID 43118542
(1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol
CID 146169064
2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-fluorophenyl)ethanamine
CID 107955370
1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanamine
CID 43118553
1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824
2-(3-methylbutyl)-1,3-benzoxazole;2-(2-methylpropyl)-1,3-benzoxazole
CID 177208287
2-[2-chloro-2-(3,5-dimethylphenyl)ethyl]-1,3-benzoxazole
CID 66460334

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine (CID 43118536) is 2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine is Cc1cc(C(N)Cc2nc3ccccc3o2)c(C)o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The InChIKey is SZSXAINEFGSBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-7-11(10(2)18-9)12(16)8-15-17-13-5-3-4-6-14(13)19-15/h3-7,12H,8,16H2,1-2H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine has a molecular weight of 256.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 43118536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).