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

C12H9N3O3S — CID 86264859

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide
SMILESCc1noc(-c2ccsc2NC(=O)c2ccco2)n1
InChIInChI=1S/C12H9N3O3S/c1-7-13-11(18-15-7)8-4-6-19-12(8)14-10(16)9-3-2-5-17-9/h2-6H,1H3,(H,14,16)
InChIKeyHRTAUQFGWLAMKO-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.95
Rot. Bonds3

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

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide (PubChem CID 86264859) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide
PubChem CID86264859
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide
SMILESCc1noc(-c2ccsc2NC(=O)c2ccco2)n1
InChIInChI=1S/C12H9N3O3S/c1-7-13-11(18-15-7)8-4-6-19-12(8)14-10(16)9-3-2-5-17-9/h2-6H,1H3,(H,14,16)
InChIKeyHRTAUQFGWLAMKO-UHFFFAOYSA-N
XLogP2.95
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide (CID 86264859) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide is Cc1noc(-c2ccsc2NC(=O)c2ccco2)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide?
The InChIKey is HRTAUQFGWLAMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c1-7-13-11(18-15-7)8-4-6-19-12(8)14-10(16)9-3-2-5-17-9/h2-6H,1H3,(H,14,16).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide has a molecular weight of 275.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86264859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).