N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide

C19H16Cl2N4O3 — CID 121095489

IUPACN-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C19H16Cl2N4O3/c1-27-16-6-5-14(21)8-15(16)22-19(26)25-9-12(10-25)18-23-17(24-28-18)11-3-2-4-13(20)7-11/h2-8,12H,9-10H2,1H3,(H,22,26)
InChIKeyVGMNFFOFXYSBRF-UHFFFAOYSA-N
MW419.27 g/mol
LogP4.68
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide (PubChem CID 121095489) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
PubChem CID121095489
Molecular FormulaC19H16Cl2N4O3
Molecular Weight419.27 g/mol
Exact Mass418.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C19H16Cl2N4O3/c1-27-16-6-5-14(21)8-15(16)22-19(26)25-9-12(10-25)18-23-17(24-28-18)11-3-2-4-13(20)7-11/h2-8,12H,9-10H2,1H3,(H,22,26)
InChIKeyVGMNFFOFXYSBRF-UHFFFAOYSA-N
XLogP4.68
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 3989669
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylazetidine-1-carboxamide
CID 121095485
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 121095238
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116605
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide
CID 56764566
(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 7219016
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 42760881
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 42764576
N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide
CID 121073239
(3R)-N-(3-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454485
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 42760859

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide (CID 121095489) is N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?
The InChIKey is VGMNFFOFXYSBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c1-27-16-6-5-14(21)8-15(16)22-19(26)25-9-12(10-25)18-23-17(24-28-18)11-3-2-4-13(20)7-11/h2-8,12H,9-10H2,1H3,(H,22,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide has a molecular weight of 419.27 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide is sourced from PubChem (CID 121095489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).