[3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

C20H20N4O3S — CID 91908841

IUPAC[3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CC(Oc3ccccc3-c3nc(C4CC4)no3)C2)s1
InChIInChI=1S/C20H20N4O3S/c1-11-17(28-12(2)21-11)20(25)24-9-14(10-24)26-16-6-4-3-5-15(16)19-22-18(23-27-19)13-7-8-13/h3-6,13-14H,7-10H2,1-2H3
InChIKeyGFQBRWXLRWSDQB-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.59
Rot. Bonds5

About [3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

[3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 91908841) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is [3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID91908841
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name[3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CC(Oc3ccccc3-c3nc(C4CC4)no3)C2)s1
InChIInChI=1S/C20H20N4O3S/c1-11-17(28-12(2)21-11)20(25)24-9-14(10-24)26-16-6-4-3-5-15(16)19-22-18(23-27-19)13-7-8-13/h3-6,13-14H,7-10H2,1-2H3
InChIKeyGFQBRWXLRWSDQB-UHFFFAOYSA-N
XLogP3.59
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 91908841) is [3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CC(Oc3ccccc3-c3nc(C4CC4)no3)C2)s1.
What is the InChIKey of [3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is GFQBRWXLRWSDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-11-17(28-12(2)21-11)20(25)24-9-14(10-24)26-16-6-4-3-5-15(16)19-22-18(23-27-19)13-7-8-13/h3-6,13-14H,7-10H2,1-2H3.
What are the key properties of [3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
[3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 396.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 91908841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).