N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine

C15H16N2O2 — CID 79492984

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCCc1oc2ccccc2c1CNCc1ccon1
InChIInChI=1S/C15H16N2O2/c1-2-14-13(10-16-9-11-7-8-18-17-11)12-5-3-4-6-15(12)19-14/h3-8,16H,2,9-10H2,1H3
InChIKeyKSYGRHPKLJUKTI-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.27
Rot. Bonds5

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 79492984) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
PubChem CID79492984
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCCc1oc2ccccc2c1CNCc1ccon1
InChIInChI=1S/C15H16N2O2/c1-2-14-13(10-16-9-11-7-8-18-17-11)12-5-3-4-6-15(12)19-14/h3-8,16H,2,9-10H2,1H3
InChIKeyKSYGRHPKLJUKTI-UHFFFAOYSA-N
XLogP3.27
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882297
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine
CID 60902981
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332180
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43434685
4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43666008
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485353

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (CID 79492984) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is CCc1oc2ccccc2c1CNCc1ccon1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is KSYGRHPKLJUKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-14-13(10-16-9-11-7-8-18-17-11)12-5-3-4-6-15(12)19-14/h3-8,16H,2,9-10H2,1H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 256.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 79492984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).