3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole

C18H21N5O2 — CID 56781848

IUPAC3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(CN3CC(n4nc(C)cc4C)C3)no2)cc1
InChIInChI=1S/C18H21N5O2/c1-12-8-13(2)23(20-12)15-9-22(10-15)11-17-19-18(25-21-17)14-4-6-16(24-3)7-5-14/h4-8,15H,9-11H2,1-3H3
InChIKeyAQIMBTDPLJFJCT-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.62
Rot. Bonds5

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

3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 56781848) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID56781848
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(CN3CC(n4nc(C)cc4C)C3)no2)cc1
InChIInChI=1S/C18H21N5O2/c1-12-8-13(2)23(20-12)15-9-22(10-15)11-17-19-18(25-21-17)14-4-6-16(24-3)7-5-14/h4-8,15H,9-11H2,1-3H3
InChIKeyAQIMBTDPLJFJCT-UHFFFAOYSA-N
XLogP2.62
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 56781848) is 3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(CN3CC(n4nc(C)cc4C)C3)no2)cc1.
What is the InChIKey of 3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is AQIMBTDPLJFJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-8-13(2)23(20-12)15-9-22(10-15)11-17-19-18(25-21-17)14-4-6-16(24-3)7-5-14/h4-8,15H,9-11H2,1-3H3.
What are the key properties of 3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 339.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56781848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).