N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine

C15H21N3O2 — CID 104807714

IUPACN-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(-c2occc2C)no1)C1CC1
InChIInChI=1S/C15H21N3O2/c1-3-7-16-12(11-4-5-11)9-13-17-15(18-20-13)14-10(2)6-8-19-14/h6,8,11-12,16H,3-5,7,9H2,1-2H3
InChIKeyAQMFXIIDEIYLRT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.96
Rot. Bonds7

About N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine

N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (PubChem CID 104807714) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
PubChem CID104807714
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(-c2occc2C)no1)C1CC1
InChIInChI=1S/C15H21N3O2/c1-3-7-16-12(11-4-5-11)9-13-17-15(18-20-13)14-10(2)6-8-19-14/h6,8,11-12,16H,3-5,7,9H2,1-2H3
InChIKeyAQMFXIIDEIYLRT-UHFFFAOYSA-N
XLogP2.96
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine with MolForge

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Related Compounds

N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 55202802
5-(chloromethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797636
N-[1-cyclopropyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63350636
N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733456
N-[1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 64535658
1-cyclopropyl-N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63347026
N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104797709
1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347362
N-[1-cyclopropyl-2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733230
5-(2-chloroethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797638
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
1-cyclopropyl-2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 107918247

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (CID 104807714) is N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is CCCNC(Cc1nc(-c2occc2C)no1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is AQMFXIIDEIYLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-7-16-12(11-4-5-11)9-13-17-15(18-20-13)14-10(2)6-8-19-14/h6,8,11-12,16H,3-5,7,9H2,1-2H3.
What are the key properties of N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 104807714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).