3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole

C15H16N4O2 — CID 29180345

IUPAC3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CCc3cn[nH]c3)n2)c(C)c1
InChIInChI=1S/C15H16N4O2/c1-10-7-12(20-2)4-5-13(10)15-18-14(21-19-15)6-3-11-8-16-17-9-11/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)
InChIKeyAZVPVIQKBUORRV-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.56
Rot. Bonds5

About 3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole

3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 29180345) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole
PubChem CID29180345
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CCc3cn[nH]c3)n2)c(C)c1
InChIInChI=1S/C15H16N4O2/c1-10-7-12(20-2)4-5-13(10)15-18-14(21-19-15)6-3-11-8-16-17-9-11/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)
InChIKeyAZVPVIQKBUORRV-UHFFFAOYSA-N
XLogP2.56
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008127
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
2-(4-methoxy-2-methylphenyl)-5-propylpyrimidine
CID 56711184
5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660
5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
CID 167760484
3-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 17376509
3-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 51202891
5-butyl-3-(2,6-dimethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4272238
[3-(2-fluoro-5-methoxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117346147
4-chloro-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-5-methylaniline
CID 51202901
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpropan-1-amine
CID 78822364
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 28806166

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole (CID 29180345) is 3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole is COc1ccc(-c2noc(CCc3cn[nH]c3)n2)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is AZVPVIQKBUORRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-7-12(20-2)4-5-13(10)15-18-14(21-19-15)6-3-11-8-16-17-9-11/h4-5,7-9H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 284.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-5-[2-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 29180345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).