(1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone

C15H13FN4O2 — CID 91646425

IUPAC(1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCCn1cc(C(=O)c2nc(-c3ccc(F)c(C)c3)no2)cn1
InChIInChI=1S/C15H13FN4O2/c1-3-20-8-11(7-17-20)13(21)15-18-14(19-22-15)10-4-5-12(16)9(2)6-10/h4-8H,3H2,1-2H3
InChIKeyJYTGXIDEKXSNDU-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.63
Rot. Bonds4

About (1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone

(1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone (PubChem CID 91646425) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone
PubChem CID91646425
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name(1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCCn1cc(C(=O)c2nc(-c3ccc(F)c(C)c3)no2)cn1
InChIInChI=1S/C15H13FN4O2/c1-3-20-8-11(7-17-20)13(21)15-18-14(19-22-15)10-4-5-12(16)9(2)6-10/h4-8H,3H2,1-2H3
InChIKeyJYTGXIDEKXSNDU-UHFFFAOYSA-N
XLogP2.63
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone (CID 91646425) is (1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone is CCn1cc(C(=O)c2nc(-c3ccc(F)c(C)c3)no2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone?
The InChIKey is JYTGXIDEKXSNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-3-20-8-11(7-17-20)13(21)15-18-14(19-22-15)10-4-5-12(16)9(2)6-10/h4-8H,3H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone?
(1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone has a molecular weight of 300.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone is sourced from PubChem (CID 91646425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).