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

C18H13FN4O2S — CID 157113351

IUPAC2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone
SMILESO=C(Cc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ccns2)on1
InChIInChI=1S/C18H13FN4O2S/c19-14-3-1-2-12(6-14)10-23-11-13(9-20-23)7-16(24)15-8-17(25-22-15)18-4-5-21-26-18/h1-6,8-9,11H,7,10H2
InChIKeyAHCJWCMDWXZATP-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.61
Rot. Bonds6

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

2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone (PubChem CID 157113351) 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-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone
PubChem CID157113351
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone
SMILESO=C(Cc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ccns2)on1
InChIInChI=1S/C18H13FN4O2S/c19-14-3-1-2-12(6-14)10-23-11-13(9-20-23)7-16(24)15-8-17(25-22-15)18-4-5-21-26-18/h1-6,8-9,11H,7,10H2
InChIKeyAHCJWCMDWXZATP-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-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone (CID 157113351) is 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,2-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-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone is O=C(Cc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ccns2)on1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is AHCJWCMDWXZATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-14-3-1-2-12(6-14)10-23-11-13(9-20-23)7-16(24)15-8-17(25-22-15)18-4-5-21-26-18/h1-6,8-9,11H,7,10H2.
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone?
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,2-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-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 157113351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).