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

C14H14N4O2 — CID 99801203

IUPAC5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCCn1cc(OCc2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C14H14N4O2/c1-2-18-9-12(8-15-18)19-10-13-16-14(17-20-13)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyFKTFFHYHEJVVSN-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.53
Rot. Bonds5

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

5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 99801203) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID99801203
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCCn1cc(OCc2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C14H14N4O2/c1-2-18-9-12(8-15-18)19-10-13-16-14(17-20-13)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyFKTFFHYHEJVVSN-UHFFFAOYSA-N
XLogP2.53
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324429
5-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 3549434
4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
CID 116804675
5-[(4-bromo-3-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 583217
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 4795932
5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 91572495
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmethoxyacetamide
CID 121022184
5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 873913
methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate
CID 116800061
5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 806936
5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 7611454
3-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 116800034

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole (CID 99801203) is 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole is CCn1cc(OCc2nc(-c3ccccc3)no2)cn1.
What is the InChIKey of 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is FKTFFHYHEJVVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-18-9-12(8-15-18)19-10-13-16-14(17-20-13)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole?
5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrazol-4-yl)oxymethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 99801203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).