5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide

C18H13FN4O2S — CID 41399399

IUPAC5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H13FN4O2S/c19-12-5-3-11(4-6-12)16-14(9-21-23-16)17(24)20-8-13-10-25-18(22-13)15-2-1-7-26-15/h1-7,9-10H,8H2,(H,20,24)(H,21,23)
InChIKeyPMSMZIFZXBMYAF-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.86
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 41399399) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID41399399
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H13FN4O2S/c19-12-5-3-11(4-6-12)16-14(9-21-23-16)17(24)20-8-13-10-25-18(22-13)15-2-1-7-26-15/h1-7,9-10H,8H2,(H,20,24)(H,21,23)
InChIKeyPMSMZIFZXBMYAF-UHFFFAOYSA-N
XLogP3.86
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide (CID 41399399) is 5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide is O=C(NCc1coc(-c2cccs2)n1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is PMSMZIFZXBMYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-12-5-3-11(4-6-12)16-14(9-21-23-16)17(24)20-8-13-10-25-18(22-13)15-2-1-7-26-15/h1-7,9-10H,8H2,(H,20,24)(H,21,23).
What are the key properties of 5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 41399399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).