N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide

C20H15FN4O2 — CID 156596117

IUPACN-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2cccc(F)c2)on1
InChIInChI=1S/C20H15FN4O2/c21-16-8-4-7-15(9-16)19-10-18(24-27-19)20(26)23-17-11-22-25(13-17)12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H,23,26)
InChIKeyXKTHFFPFIVIUIV-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.98
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 156596117) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID156596117
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2cccc(F)c2)on1
InChIInChI=1S/C20H15FN4O2/c21-16-8-4-7-15(9-16)19-10-18(24-27-19)20(26)23-17-11-22-25(13-17)12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H,23,26)
InChIKeyXKTHFFPFIVIUIV-UHFFFAOYSA-N
XLogP3.98
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 156596117) is N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2cccc(F)c2)on1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XKTHFFPFIVIUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-16-8-4-7-15(9-16)19-10-18(24-27-19)20(26)23-17-11-22-25(13-17)12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H,23,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 156596117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).