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

C11H10N4O3S — CID 102630282

IUPAC[5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2cc(-c3ccco3)on2)o1
InChIInChI=1S/C11H10N4O3S/c12-5-10-13-14-11(17-10)19-6-7-4-9(18-15-7)8-2-1-3-16-8/h1-4H,5-6,12H2
InChIKeyWFFWFSLHLMYJJW-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.07
Rot. Bonds5

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

[5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630282) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is [5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630282
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name[5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2cc(-c3ccco3)on2)o1
InChIInChI=1S/C11H10N4O3S/c12-5-10-13-14-11(17-10)19-6-7-4-9(18-15-7)8-2-1-3-16-8/h1-4H,5-6,12H2
InChIKeyWFFWFSLHLMYJJW-UHFFFAOYSA-N
XLogP2.07
TPSA104.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630271
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 9404976
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 9345632
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol
CID 47298267
3-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
CID 18098780
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylaniline
CID 79148078
3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole
CID 112808354
3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
CID 18144180
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
CID 43241616
5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 8684722

Frequently Asked Questions

What is the IUPAC name of [5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (CID 102630282) is [5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCc2cc(-c3ccco3)on2)o1.
What is the InChIKey of [5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is WFFWFSLHLMYJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c12-5-10-13-14-11(17-10)19-6-7-4-9(18-15-7)8-2-1-3-16-8/h1-4H,5-6,12H2.
What are the key properties of [5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 278.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).