N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide

C18H18N4O3S — CID 121097328

IUPACN-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C18H18N4O3S/c1-2-24-15-6-4-3-5-14(15)19-18(23)22-9-13(10-22)17-20-16(21-25-17)12-7-8-26-11-12/h3-8,11,13H,2,9-10H2,1H3,(H,19,23)
InChIKeyZYWMERMITRYAIK-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.83
Rot. Bonds5

About N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide

N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide (PubChem CID 121097328) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
PubChem CID121097328
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C18H18N4O3S/c1-2-24-15-6-4-3-5-14(15)19-18(23)22-9-13(10-22)17-20-16(21-25-17)12-7-8-26-11-12/h3-8,11,13H,2,9-10H2,1H3,(H,19,23)
InChIKeyZYWMERMITRYAIK-UHFFFAOYSA-N
XLogP3.83
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097314
N-(2,6-difluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097325
N-(3-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 71784312
N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42761024
N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097329
N-(2-ethoxyphenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 90509106
2-[2-oxo-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethyl]isoindole-1,3-dione
CID 121097155
2-benzylsulfanyl-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121097107
(3,5-dimethoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121097054
(3-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 71784245
3-(4-methoxyphenyl)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]propan-1-one
CID 121097140
N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642769

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide (CID 121097328) is N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CC(c2nc(-c3ccsc3)no2)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The InChIKey is ZYWMERMITRYAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-2-24-15-6-4-3-5-14(15)19-18(23)22-9-13(10-22)17-20-16(21-25-17)12-7-8-26-11-12/h3-8,11,13H,2,9-10H2,1H3,(H,19,23).
What are the key properties of N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide is sourced from PubChem (CID 121097328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).