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

C11H15N3O2 — CID 62634003

IUPAC1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
SMILESCCC(NCc1nc(C)no1)c1ccco1
InChIInChI=1S/C11H15N3O2/c1-3-9(10-5-4-6-15-10)12-7-11-13-8(2)14-16-11/h4-6,9,12H,3,7H2,1-2H3
InChIKeyAOOOUYOZYHBKNR-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.21
Rot. Bonds5

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

1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine (PubChem CID 62634003) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
PubChem CID62634003
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
SMILESCCC(NCc1nc(C)no1)c1ccco1
InChIInChI=1S/C11H15N3O2/c1-3-9(10-5-4-6-15-10)12-7-11-13-8(2)14-16-11/h4-6,9,12H,3,7H2,1-2H3
InChIKeyAOOOUYOZYHBKNR-UHFFFAOYSA-N
XLogP2.21
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114698636
1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 62633957
1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 62633449
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 114991150
1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 62633450
1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 86919174
5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine
CID 61015246
N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride
CID 115671366
1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine
CID 62633045
1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 62990396
1-(furan-2-ylmethyl)-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 110935023

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine (CID 62634003) is 1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine is CCC(NCc1nc(C)no1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is AOOOUYOZYHBKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-9(10-5-4-6-15-10)12-7-11-13-8(2)14-16-11/h4-6,9,12H,3,7H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 62634003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).