5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole

C19H23N5O — CID 56781741

IUPAC5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1cc(C)n(C2CN(CCCc3nc(-c4ccccc4)no3)C2)n1
InChIInChI=1S/C19H23N5O/c1-14-11-15(2)24(21-14)17-12-23(13-17)10-6-9-18-20-19(22-25-18)16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3
InChIKeyZQOMSSAVWGLZSB-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.04
Rot. Bonds6

About 5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole

5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 56781741) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID56781741
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1cc(C)n(C2CN(CCCc3nc(-c4ccccc4)no3)C2)n1
InChIInChI=1S/C19H23N5O/c1-14-11-15(2)24(21-14)17-12-23(13-17)10-6-9-18-20-19(22-25-18)16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3
InChIKeyZQOMSSAVWGLZSB-UHFFFAOYSA-N
XLogP3.04
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole (CID 56781741) is 5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole is Cc1cc(C)n(C2CN(CCCc3nc(-c4ccccc4)no3)C2)n1.
What is the InChIKey of 5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ZQOMSSAVWGLZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-11-15(2)24(21-14)17-12-23(13-17)10-6-9-18-20-19(22-25-18)16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3.
What are the key properties of 5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole?
5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 337.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 56781741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).