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

C13H13N5O3S — CID 135112892

IUPAC3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide
SMILESCc1nnsc1CNC(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C13H13N5O3S/c1-8-10(22-18-16-8)7-14-11(19)4-5-12-15-13(17-21-12)9-3-2-6-20-9/h2-3,6H,4-5,7H2,1H3,(H,14,19)
InChIKeyYTZNRWBEMCNJPA-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.74
Rot. Bonds6

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

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide (PubChem CID 135112892) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide
PubChem CID135112892
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide
SMILESCc1nnsc1CNC(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C13H13N5O3S/c1-8-10(22-18-16-8)7-14-11(19)4-5-12-15-13(17-21-12)9-3-2-6-20-9/h2-3,6H,4-5,7H2,1H3,(H,14,19)
InChIKeyYTZNRWBEMCNJPA-UHFFFAOYSA-N
XLogP1.74
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide (CID 135112892) is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide is Cc1nnsc1CNC(=O)CCc1nc(-c2ccco2)no1.
What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide?
The InChIKey is YTZNRWBEMCNJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c1-8-10(22-18-16-8)7-14-11(19)4-5-12-15-13(17-21-12)9-3-2-6-20-9/h2-3,6H,4-5,7H2,1H3,(H,14,19).
What are the key properties of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide?
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide has a molecular weight of 319.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylthiadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 135112892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).