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

C18H13FN4O2S — CID 159869342

IUPAC2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone
SMILESO=C(Cc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2cncs2)on1
InChIInChI=1S/C18H13FN4O2S/c19-14-3-1-2-12(4-14)9-23-10-13(7-21-23)5-16(24)15-6-17(25-22-15)18-8-20-11-26-18/h1-4,6-8,10-11H,5,9H2
InChIKeyPQDLHFUBDWLWCI-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.61
Rot. Bonds6

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

2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone (PubChem CID 159869342) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone
PubChem CID159869342
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone
SMILESO=C(Cc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2cncs2)on1
InChIInChI=1S/C18H13FN4O2S/c19-14-3-1-2-12(4-14)9-23-10-13(7-21-23)5-16(24)15-6-17(25-22-15)18-8-20-11-26-18/h1-4,6-8,10-11H,5,9H2
InChIKeyPQDLHFUBDWLWCI-UHFFFAOYSA-N
XLogP3.61
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone (CID 159869342) is 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone is O=C(Cc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2cncs2)on1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is PQDLHFUBDWLWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-14-3-1-2-12(4-14)9-23-10-13(7-21-23)5-16(24)15-6-17(25-22-15)18-8-20-11-26-18/h1-4,6-8,10-11H,5,9H2.
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone?
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone has a molecular weight of 368.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 159869342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).