1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone

C17H16FN3O2 — CID 164718965

IUPAC1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone
SMILESCCn1cc(Cc2conc2-c2ccc(F)cc2C(C)=O)cn1
InChIInChI=1S/C17H16FN3O2/c1-3-21-9-12(8-19-21)6-13-10-23-20-17(13)15-5-4-14(18)7-16(15)11(2)22/h4-5,7-10H,3,6H2,1-2H3
InChIKeyWGBIZDPYFVCUDS-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.49
Rot. Bonds5

About 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone

1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone (PubChem CID 164718965) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone
PubChem CID164718965
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone
SMILESCCn1cc(Cc2conc2-c2ccc(F)cc2C(C)=O)cn1
InChIInChI=1S/C17H16FN3O2/c1-3-21-9-12(8-19-21)6-13-10-23-20-17(13)15-5-4-14(18)7-16(15)11(2)22/h4-5,7-10H,3,6H2,1-2H3
InChIKeyWGBIZDPYFVCUDS-UHFFFAOYSA-N
XLogP3.49
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone (CID 164718965) is 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone is CCn1cc(Cc2conc2-c2ccc(F)cc2C(C)=O)cn1.
What is the InChIKey of 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone?
The InChIKey is WGBIZDPYFVCUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-3-21-9-12(8-19-21)6-13-10-23-20-17(13)15-5-4-14(18)7-16(15)11(2)22/h4-5,7-10H,3,6H2,1-2H3.
What are the key properties of 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone?
1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone has a molecular weight of 313.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazol-3-yl]-5-fluorophenyl]ethanone is sourced from PubChem (CID 164718965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).