(5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

C17H14ClN3O3S — CID 71784247

IUPAC(5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C17H14ClN3O3S/c1-23-14-3-2-12(18)6-13(14)17(22)21-7-11(8-21)16-19-15(20-24-16)10-4-5-25-9-10/h2-6,9,11H,7-8H2,1H3
InChIKeyJXZSEADEEPSKHC-UHFFFAOYSA-N
MW375.84 g/mol
LogP3.70
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (PubChem CID 71784247) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
PubChem CID71784247
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC Name(5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C17H14ClN3O3S/c1-23-14-3-2-12(18)6-13(14)17(22)21-7-11(8-21)16-19-15(20-24-16)10-4-5-25-9-10/h2-6,9,11H,7-8H2,1H3
InChIKeyJXZSEADEEPSKHC-UHFFFAOYSA-N
XLogP3.70
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (CID 71784247) is (5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CC(c2nc(-c3ccsc3)no2)C1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The InChIKey is JXZSEADEEPSKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-23-14-3-2-12(18)6-13(14)17(22)21-7-11(8-21)16-19-15(20-24-16)10-4-5-25-9-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone has a molecular weight of 375.84 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 71784247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).