3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole

C14H17N5O2 — CID 154749963

IUPAC3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(Cn2cc(-n3cccc3)cn2)n1
InChIInChI=1S/C14H17N5O2/c1-3-20-11(2)14-16-13(21-17-14)10-19-9-12(8-15-19)18-6-4-5-7-18/h4-9,11H,3,10H2,1-2H3
InChIKeyBLWLRXAQSJUOCG-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.20
Rot. Bonds6

About 3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole

3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 154749963) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID154749963
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(Cn2cc(-n3cccc3)cn2)n1
InChIInChI=1S/C14H17N5O2/c1-3-20-11(2)14-16-13(21-17-14)10-19-9-12(8-15-19)18-6-4-5-7-18/h4-9,11H,3,10H2,1-2H3
InChIKeyBLWLRXAQSJUOCG-UHFFFAOYSA-N
XLogP2.20
TPSA70.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458330
3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 116704210
5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901282
(3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 111434623
3-[(1S)-1-ethoxyethyl]-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 97029336
5-[[4-(5-bromo-3-pyridinyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 133324968
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 64539003
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 64534643
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 64540032
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79200735
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole (CID 154749963) is 3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole is CCOC(C)c1noc(Cn2cc(-n3cccc3)cn2)n1.
What is the InChIKey of 3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is BLWLRXAQSJUOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-20-11(2)14-16-13(21-17-14)10-19-9-12(8-15-19)18-6-4-5-7-18/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 287.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-5-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 154749963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).