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

C18H14N4O3 — CID 146220559

IUPACN-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccco2)no1
InChIInChI=1S/C18H14N4O3/c23-18(17-9-15(21-25-17)16-7-4-8-24-16)20-14-10-19-22(12-14)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,20,23)
InChIKeyNODFUSBIEUAVQP-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.43
Rot. Bonds5

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

N-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 146220559) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID146220559
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccco2)no1
InChIInChI=1S/C18H14N4O3/c23-18(17-9-15(21-25-17)16-7-4-8-24-16)20-14-10-19-22(12-14)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,20,23)
InChIKeyNODFUSBIEUAVQP-UHFFFAOYSA-N
XLogP3.43
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide (CID 146220559) is N-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccco2)no1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is NODFUSBIEUAVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-18(17-9-15(21-25-17)16-7-4-8-24-16)20-14-10-19-22(12-14)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,20,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide?
N-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 146220559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).