3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide

C23H16N4O3 — CID 78890017

IUPAC3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C23H16N4O3/c28-23(25-17-10-8-16(9-11-17)22-14-24-15-30-22)20-13-19(21-7-4-12-29-21)26-27(20)18-5-2-1-3-6-18/h1-15H,(H,25,28)
InChIKeyDSKXEKZDUJLLSA-UHFFFAOYSA-N
MW396.41 g/mol
LogP5.04
Rot. Bonds5

About 3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide

3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 78890017) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide
PubChem CID78890017
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C23H16N4O3/c28-23(25-17-10-8-16(9-11-17)22-14-24-15-30-22)20-13-19(21-7-4-12-29-21)26-27(20)18-5-2-1-3-6-18/h1-15H,(H,25,28)
InChIKeyDSKXEKZDUJLLSA-UHFFFAOYSA-N
XLogP5.04
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide (CID 78890017) is 3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide is O=C(Nc1ccc(-c2cnco2)cc1)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is DSKXEKZDUJLLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c28-23(25-17-10-8-16(9-11-17)22-14-24-15-30-22)20-13-19(21-7-4-12-29-21)26-27(20)18-5-2-1-3-6-18/h1-15H,(H,25,28).
What are the key properties of 3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide?
3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 78890017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).