4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine

C12H17N3O2 — CID 107911508

IUPAC4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
SMILESCc1nc(CNC(C)CCc2ccco2)no1
InChIInChI=1S/C12H17N3O2/c1-9(5-6-11-4-3-7-16-11)13-8-12-14-10(2)17-15-12/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyMRMUWVMOBZLQGN-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.08
Rot. Bonds6

About 4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine

4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine (PubChem CID 107911508) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
PubChem CID107911508
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
SMILESCc1nc(CNC(C)CCc2ccco2)no1
InChIInChI=1S/C12H17N3O2/c1-9(5-6-11-4-3-7-16-11)13-8-12-14-10(2)17-15-12/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyMRMUWVMOBZLQGN-UHFFFAOYSA-N
XLogP2.08
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine with MolForge

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Related Compounds

N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 128991000
4-(furan-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 62322509
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 114015027
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43644966
4-(furan-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]butan-2-amine
CID 63985074
(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 107911793
1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398102
4-[[4-(furan-2-yl)butan-2-ylamino]methyl]benzene-1,2,3-triol
CID 107730421
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
(2R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95282283

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine (CID 107911508) is 4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine is Cc1nc(CNC(C)CCc2ccco2)no1.
What is the InChIKey of 4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine?
The InChIKey is MRMUWVMOBZLQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(5-6-11-4-3-7-16-11)13-8-12-14-10(2)17-15-12/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine?
4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine has a molecular weight of 235.29 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 107911508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).