[5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

C10H9N5O3S — CID 102630271

IUPAC[5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2nc(-c3ccco3)no2)o1
InChIInChI=1S/C10H9N5O3S/c11-4-7-13-14-10(17-7)19-5-8-12-9(15-18-8)6-2-1-3-16-6/h1-3H,4-5,11H2
InChIKeyDTXZYXQLEWEMJL-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.46
Rot. Bonds5

About [5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

[5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630271) has the molecular formula C10H9N5O3S and a molecular weight of 279.28 g/mol. Its IUPAC name is [5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630271
Molecular FormulaC10H9N5O3S
Molecular Weight279.28 g/mol
Exact Mass279.04
IUPAC Name[5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2nc(-c3ccco3)no2)o1
InChIInChI=1S/C10H9N5O3S/c11-4-7-13-14-10(17-7)19-5-8-12-9(15-18-8)6-2-1-3-16-6/h1-3H,4-5,11H2
InChIKeyDTXZYXQLEWEMJL-UHFFFAOYSA-N
XLogP1.46
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine with MolForge

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Related Compounds

[5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630282
2-(3,5-dimethylphenyl)-5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 55553029
2-[3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294448
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2-methylpropan-1-amine
CID 66224314
5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47153877
[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630041
3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 37314754
5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47154148
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47154142
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CID 43245014
5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 43052764
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (CID 102630271) is [5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCc2nc(-c3ccco3)no2)o1.
What is the InChIKey of [5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is DTXZYXQLEWEMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3S/c11-4-7-13-14-10(17-7)19-5-8-12-9(15-18-8)6-2-1-3-16-6/h1-3H,4-5,11H2.
What are the key properties of [5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 279.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).