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

C12H13N3O3 — CID 91907179

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide
SMILESO=C(NCCc1noc(C2CC2)n1)c1ccoc1
InChIInChI=1S/C12H13N3O3/c16-11(9-4-6-17-7-9)13-5-3-10-14-12(18-15-10)8-1-2-8/h4,6-8H,1-3,5H2,(H,13,16)
InChIKeyLUTITEUZPZJLFE-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.51
Rot. Bonds5

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide (PubChem CID 91907179) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide
PubChem CID91907179
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide
SMILESO=C(NCCc1noc(C2CC2)n1)c1ccoc1
InChIInChI=1S/C12H13N3O3/c16-11(9-4-6-17-7-9)13-5-3-10-14-12(18-15-10)8-1-2-8/h4,6-8H,1-3,5H2,(H,13,16)
InChIKeyLUTITEUZPZJLFE-UHFFFAOYSA-N
XLogP1.51
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide (CID 91907179) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide is O=C(NCCc1noc(C2CC2)n1)c1ccoc1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide?
The InChIKey is LUTITEUZPZJLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-11(9-4-6-17-7-9)13-5-3-10-14-12(18-15-10)8-1-2-8/h4,6-8H,1-3,5H2,(H,13,16).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 91907179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).