N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C19H16N4O4 — CID 3242075

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccco3)on2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H16N4O4/c1-12-17(19(25)23(22(12)2)13-7-4-3-5-8-13)20-18(24)14-11-16(27-21-14)15-9-6-10-26-15/h3-11H,1-2H3,(H,20,24)
InChIKeyICJBCFAWXVKDMZ-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.98
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 3242075) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID3242075
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccco3)on2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H16N4O4/c1-12-17(19(25)23(22(12)2)13-7-4-3-5-8-13)20-18(24)14-11-16(27-21-14)15-9-6-10-26-15/h3-11H,1-2H3,(H,20,24)
InChIKeyICJBCFAWXVKDMZ-UHFFFAOYSA-N
XLogP2.98
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 3242075) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is Cc1c(NC(=O)c2cc(-c3ccco3)on2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is ICJBCFAWXVKDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-12-17(19(25)23(22(12)2)13-7-4-3-5-8-13)20-18(24)14-11-16(27-21-14)15-9-6-10-26-15/h3-11H,1-2H3,(H,20,24).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3242075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).