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

C12H9N3O3S — CID 2534314

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C12H9N3O3S/c1-7-4-6-19-9(7)10(16)13-12-15-14-11(18-12)8-3-2-5-17-8/h2-6H,1H3,(H,13,15,16)
InChIKeyAXFCQVPRYHULEA-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.95
Rot. Bonds3

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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide (PubChem CID 2534314) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
PubChem CID2534314
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C12H9N3O3S/c1-7-4-6-19-9(7)10(16)13-12-15-14-11(18-12)8-3-2-5-17-8/h2-6H,1H3,(H,13,15,16)
InChIKeyAXFCQVPRYHULEA-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-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide (CID 2534314) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1nnc(-c2ccco2)o1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is AXFCQVPRYHULEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c1-7-4-6-19-9(7)10(16)13-12-15-14-11(18-12)8-3-2-5-17-8/h2-6H,1H3,(H,13,15,16).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-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-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2534314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).