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

C14H14N4O2 — CID 84589251

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole
SMILESCc1c(COc2nnc(-c3ccccc3)o2)cnn1C
InChIInChI=1S/C14H14N4O2/c1-10-12(8-15-18(10)2)9-19-14-17-16-13(20-14)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyQEYYGIVEZYECCV-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.36
Rot. Bonds4

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

2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole (PubChem CID 84589251) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole
PubChem CID84589251
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole
SMILESCc1c(COc2nnc(-c3ccccc3)o2)cnn1C
InChIInChI=1S/C14H14N4O2/c1-10-12(8-15-18(10)2)9-19-14-17-16-13(20-14)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyQEYYGIVEZYECCV-UHFFFAOYSA-N
XLogP2.36
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole
CID 54351767
N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 99819030
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate
CID 27926807
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
CID 55602671
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31615743
1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone
CID 112819046
2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole
CID 55602692
2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one
CID 57413400
2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 71563567
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine
CID 103868375

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole (CID 84589251) is 2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole is Cc1c(COc2nnc(-c3ccccc3)o2)cnn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is QEYYGIVEZYECCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10-12(8-15-18(10)2)9-19-14-17-16-13(20-14)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole?
2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methoxy]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 84589251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).