5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole

C13H12N4O — CID 19324429

IUPAC5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCCn1cc(-c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C13H12N4O/c1-2-17-9-11(8-14-17)13-15-12(16-18-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyCDJWZSQQAQSJFS-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.62
Rot. Bonds3

About 5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole

5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 19324429) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
PubChem CID19324429
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCCn1cc(-c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C13H12N4O/c1-2-17-9-11(8-14-17)13-15-12(16-18-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyCDJWZSQQAQSJFS-UHFFFAOYSA-N
XLogP2.62
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole
CID 99801203
5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324384
1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 121199999
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide
CID 121022184
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine
CID 103570147
4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 135966775
2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole
CID 4776587
5-bromo-2-(1-ethylpyrazol-4-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136677135
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
1-[5-(1-benzylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867235
3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole
CID 121244988

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole (CID 19324429) is 5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole is CCn1cc(-c2nc(-c3ccccc3)no2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is CDJWZSQQAQSJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-17-9-11(8-14-17)13-15-12(16-18-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole?
5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 240.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 19324429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).