5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide

C19H16N4O3 — CID 3243785

IUPAC5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccco4)on3)n2)cc1
InChIInChI=1S/C19H16N4O3/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-17(26-22-15)16-3-2-10-25-16/h2-11H,12H2,1H3,(H,20,21,24)
InChIKeyFTKLCOWCUBPRKJ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.74
Rot. Bonds5

About 5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 3243785) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID3243785
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccco4)on3)n2)cc1
InChIInChI=1S/C19H16N4O3/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-17(26-22-15)16-3-2-10-25-16/h2-11H,12H2,1H3,(H,20,21,24)
InChIKeyFTKLCOWCUBPRKJ-UHFFFAOYSA-N
XLogP3.74
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.74
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-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (CID 3243785) is 5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccco4)on3)n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is FTKLCOWCUBPRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-17(26-22-15)16-3-2-10-25-16/h2-11H,12H2,1H3,(H,20,21,24).
What are the key properties of 5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.74, 5 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-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3243785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).