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

C13H19N3O2 — CID 99820946

IUPAC(1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCc1ccc([C@@H](C)NCc2noc(C(C)C)n2)o1
InChIInChI=1S/C13H19N3O2/c1-8(2)13-15-12(16-18-13)7-14-10(4)11-6-5-9(3)17-11/h5-6,8,10,14H,7H2,1-4H3/t10-/m1/s1
InChIKeyVKCRFHXZTNJVMQ-SNVBAGLBSA-N
MW249.31 g/mol
LogP2.95
Rot. Bonds5

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

(1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 99820946) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID99820946
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCc1ccc([C@@H](C)NCc2noc(C(C)C)n2)o1
InChIInChI=1S/C13H19N3O2/c1-8(2)13-15-12(16-18-13)7-14-10(4)11-6-5-9(3)17-11/h5-6,8,10,14H,7H2,1-4H3/t10-/m1/s1
InChIKeyVKCRFHXZTNJVMQ-SNVBAGLBSA-N
XLogP2.95
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 99820946) is (1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is Cc1ccc([C@@H](C)NCc2noc(C(C)C)n2)o1.
What is the InChIKey of (1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is VKCRFHXZTNJVMQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)13-15-12(16-18-13)7-14-10(4)11-6-5-9(3)17-11/h5-6,8,10,14H,7H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
(1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 99820946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).