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

C9H11N3O2 — CID 62716801

IUPAC2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)c1nc(-c2ccco2)no1
InChIInChI=1S/C9H11N3O2/c1-6(5-10)9-11-8(12-14-9)7-3-2-4-13-7/h2-4,6H,5,10H2,1H3
InChIKeyDCCOEOZJRPRNCV-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.39
Rot. Bonds3

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

2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 62716801) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID62716801
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)c1nc(-c2ccco2)no1
InChIInChI=1S/C9H11N3O2/c1-6(5-10)9-11-8(12-14-9)7-3-2-4-13-7/h2-4,6H,5,10H2,1H3
InChIKeyDCCOEOZJRPRNCV-UHFFFAOYSA-N
XLogP1.39
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-bromopropyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 62854734
(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 94549401
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2-methylpropan-1-amine
CID 66224314
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine
CID 104847409
2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol
CID 94775707
2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 42886296
5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 42955614
5-[(1R)-1-(1-tert-butyltetrazol-5-yl)sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36983477
5-[(1S)-1-(1-ethyltetrazol-5-yl)sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36983533
2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 63095950
[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 62716479
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
CID 83277387

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 62716801) is 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(CN)c1nc(-c2ccco2)no1.
What is the InChIKey of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is DCCOEOZJRPRNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6(5-10)9-11-8(12-14-9)7-3-2-4-13-7/h2-4,6H,5,10H2,1H3.
What are the key properties of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 193.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 62716801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).