4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine

C13H19N3O2 — CID 113377754

IUPAC4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine
SMILESCCNCc1coc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C13H19N3O2/c1-4-14-7-12-9-18-13(15-12)16(3)8-11-5-6-17-10(11)2/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyDZDCAKMWNYJTKQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.32
Rot. Bonds6

About 4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine

4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine (PubChem CID 113377754) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine
PubChem CID113377754
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine
SMILESCCNCc1coc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C13H19N3O2/c1-4-14-7-12-9-18-13(15-12)16(3)8-11-5-6-17-10(11)2/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyDZDCAKMWNYJTKQ-UHFFFAOYSA-N
XLogP2.32
TPSA54.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine?
The IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine (CID 113377754) is 4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine is CCNCc1coc(N(C)Cc2ccoc2C)n1.
What is the InChIKey of 4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine?
The InChIKey is DZDCAKMWNYJTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-14-7-12-9-18-13(15-12)16(3)8-11-5-6-17-10(11)2/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine?
4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine has a molecular weight of 249.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 113377754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).