[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C17H17N5O3 — CID 91905504

IUPAC[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1noc(-c2cccc(OC3CN(C(=O)c4cnn(C)c4)C3)c2)n1
InChIInChI=1S/C17H17N5O3/c1-11-19-16(25-20-11)12-4-3-5-14(6-12)24-15-9-22(10-15)17(23)13-7-18-21(2)8-13/h3-8,15H,9-10H2,1-2H3
InChIKeyWVWUEAMMJMZPLX-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.68
Rot. Bonds4

About [3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 91905504) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is [3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID91905504
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1noc(-c2cccc(OC3CN(C(=O)c4cnn(C)c4)C3)c2)n1
InChIInChI=1S/C17H17N5O3/c1-11-19-16(25-20-11)12-4-3-5-14(6-12)24-15-9-22(10-15)17(23)13-7-18-21(2)8-13/h3-8,15H,9-10H2,1-2H3
InChIKeyWVWUEAMMJMZPLX-UHFFFAOYSA-N
XLogP1.68
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 91905504) is [3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1noc(-c2cccc(OC3CN(C(=O)c4cnn(C)c4)C3)c2)n1.
What is the InChIKey of [3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is WVWUEAMMJMZPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-19-16(25-20-11)12-4-3-5-14(6-12)24-15-9-22(10-15)17(23)13-7-18-21(2)8-13/h3-8,15H,9-10H2,1-2H3.
What are the key properties of [3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 339.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 91905504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).