1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine

C14H20N2O2 — CID 86789525

IUPAC1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ncoc2C(C)C)o1
InChIInChI=1S/C14H20N2O2/c1-9(2)14-12(16-8-17-14)7-15-11(4)13-6-5-10(3)18-13/h5-6,8-9,11,15H,7H2,1-4H3
InChIKeyUNDWEFHPUBCQNU-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.55
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine

1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 86789525) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID86789525
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ncoc2C(C)C)o1
InChIInChI=1S/C14H20N2O2/c1-9(2)14-12(16-8-17-14)7-15-11(4)13-6-5-10(3)18-13/h5-6,8-9,11,15H,7H2,1-4H3
InChIKeyUNDWEFHPUBCQNU-UHFFFAOYSA-N
XLogP3.55
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (CID 86789525) is 1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is Cc1ccc(C(C)NCc2ncoc2C(C)C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is UNDWEFHPUBCQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)14-12(16-8-17-14)7-15-11(4)13-6-5-10(3)18-13/h5-6,8-9,11,15H,7H2,1-4H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine has a molecular weight of 248.33 g/mol, XLogP of 3.55, 5 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-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 86789525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).