1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine

C12H16N2O2 — CID 104578495

IUPAC1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ncc(C)o2)o1
InChIInChI=1S/C12H16N2O2/c1-8-4-5-11(15-8)10(3)13-7-12-14-6-9(2)16-12/h4-6,10,13H,7H2,1-3H3
InChIKeyYTZCKCRDLFNSCP-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.74
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine

1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 104578495) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID104578495
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ncc(C)o2)o1
InChIInChI=1S/C12H16N2O2/c1-8-4-5-11(15-8)10(3)13-7-12-14-6-9(2)16-12/h4-6,10,13H,7H2,1-3H3
InChIKeyYTZCKCRDLFNSCP-UHFFFAOYSA-N
XLogP2.74
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
CID 86789550
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 113350582
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 103917075
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 106369709
5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol
CID 106370039
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103912999
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760002
1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913115
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913154
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 103913010
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 113428992
1-(3-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 113350594

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 104578495) is 1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1ccc(C(C)NCc2ncc(C)o2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is YTZCKCRDLFNSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-4-5-11(15-8)10(3)13-7-12-14-6-9(2)16-12/h4-6,10,13H,7H2,1-3H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 220.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 104578495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).