5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide

C18H14N4O3 — CID 3235769

IUPAC5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccco3)on2)n(-c2ccccc2)n1
InChIInChI=1S/C18H14N4O3/c1-12-10-17(22(20-12)13-6-3-2-4-7-13)19-18(23)14-11-16(25-21-14)15-8-5-9-24-15/h2-11H,1H3,(H,19,23)
InChIKeyBHVCDQFJBSLOLL-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.68
Rot. Bonds4

About 5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 3235769) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID3235769
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccco3)on2)n(-c2ccccc2)n1
InChIInChI=1S/C18H14N4O3/c1-12-10-17(22(20-12)13-6-3-2-4-7-13)19-18(23)14-11-16(25-21-14)15-8-5-9-24-15/h2-11H,1H3,(H,19,23)
InChIKeyBHVCDQFJBSLOLL-UHFFFAOYSA-N
XLogP3.68
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (CID 3235769) is 5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccco3)on2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BHVCDQFJBSLOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-12-10-17(22(20-12)13-6-3-2-4-7-13)19-18(23)14-11-16(25-21-14)15-8-5-9-24-15/h2-11H,1H3,(H,19,23).
What are the key properties of 5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3235769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).