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

C12H9N3O3S — CID 45496906

IUPACN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)c1ccco1
InChIInChI=1S/C12H9N3O3S/c16-11(9-4-1-5-17-9)13-12-15-14-10(18-12)7-8-3-2-6-19-8/h1-6H,7H2,(H,13,15,16)
InChIKeyVYJAKLBKWDQYHW-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.57
Rot. Bonds4

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

N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (PubChem CID 45496906) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
PubChem CID45496906
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC NameN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)c1ccco1
InChIInChI=1S/C12H9N3O3S/c16-11(9-4-1-5-17-9)13-12-15-14-10(18-12)7-8-3-2-6-19-8/h1-6H,7H2,(H,13,15,16)
InChIKeyVYJAKLBKWDQYHW-UHFFFAOYSA-N
XLogP2.57
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (CID 45496906) is N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(Cc2cccs2)o1)c1ccco1.
What is the InChIKey of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The InChIKey is VYJAKLBKWDQYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c16-11(9-4-1-5-17-9)13-12-15-14-10(18-12)7-8-3-2-6-19-8/h1-6H,7H2,(H,13,15,16).
What are the key properties of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide has a molecular weight of 275.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 45496906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).