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

C12H14N4O3 — CID 90509208

IUPACN-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
SMILESCCNC(=O)N1CC(c2nc(-c3ccco3)no2)C1
InChIInChI=1S/C12H14N4O3/c1-2-13-12(17)16-6-8(7-16)11-14-10(15-19-11)9-4-3-5-18-9/h3-5,8H,2,6-7H2,1H3,(H,13,17)
InChIKeyQLRWFTHTMJHMBC-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.46
Rot. Bonds3

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

N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide (PubChem CID 90509208) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
PubChem CID90509208
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
SMILESCCNC(=O)N1CC(c2nc(-c3ccco3)no2)C1
InChIInChI=1S/C12H14N4O3/c1-2-13-12(17)16-6-8(7-16)11-14-10(15-19-11)9-4-3-5-18-9/h3-5,8H,2,6-7H2,1H3,(H,13,17)
InChIKeyQLRWFTHTMJHMBC-UHFFFAOYSA-N
XLogP1.46
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylazetidine-1-carboxamide
CID 90509211
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 90509184
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-propylacetamide
CID 90509134
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methylphenyl)methanone
CID 90508931
5-(1-ethylsulfonylazetidin-3-yl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 90509216
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 90508937
(3,5-dimethylphenyl)-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 90508932
4-chloro-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]butan-1-one
CID 90508926
(2-ethylsulfanylphenyl)-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 90509027
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-4-phenylbutane-1,4-dione
CID 90508873
1-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 90509042
5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one
CID 90508872

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide (CID 90509208) is N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide is CCNC(=O)N1CC(c2nc(-c3ccco3)no2)C1.
What is the InChIKey of N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?
The InChIKey is QLRWFTHTMJHMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-2-13-12(17)16-6-8(7-16)11-14-10(15-19-11)9-4-3-5-18-9/h3-5,8H,2,6-7H2,1H3,(H,13,17).
What are the key properties of N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?
N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide is sourced from PubChem (CID 90509208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).