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

C18H14N4O2S — CID 17253077

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cccs3)on2)n(-c2ccccc2)n1
InChIInChI=1S/C18H14N4O2S/c1-12-10-17(22(20-12)13-6-3-2-4-7-13)19-18(23)14-11-15(24-21-14)16-8-5-9-25-16/h2-11H,1H3,(H,19,23)
InChIKeyFQMDMWILDPQHOL-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.15
Rot. Bonds4

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

N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 17253077) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID17253077
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cccs3)on2)n(-c2ccccc2)n1
InChIInChI=1S/C18H14N4O2S/c1-12-10-17(22(20-12)13-6-3-2-4-7-13)19-18(23)14-11-15(24-21-14)16-8-5-9-25-16/h2-11H,1H3,(H,19,23)
InChIKeyFQMDMWILDPQHOL-UHFFFAOYSA-N
XLogP4.15
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 17253077) is N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1cc(NC(=O)c2cc(-c3cccs3)on2)n(-c2ccccc2)n1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is FQMDMWILDPQHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-12-10-17(22(20-12)13-6-3-2-4-7-13)19-18(23)14-11-15(24-21-14)16-8-5-9-25-16/h2-11H,1H3,(H,19,23).
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).