3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide

C15H16N4O2S — CID 119102039

IUPAC3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C15H16N4O2S/c1-10-14(11(2)21-18-10)15(20)16-9-12(13-5-3-8-22-13)19-7-4-6-17-19/h3-8,12H,9H2,1-2H3,(H,16,20)
InChIKeyMWXVGIRSXFWAPX-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.57
Rot. Bonds5

About 3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 119102039) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide
PubChem CID119102039
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C15H16N4O2S/c1-10-14(11(2)21-18-10)15(20)16-9-12(13-5-3-8-22-13)19-7-4-6-17-19/h3-8,12H,9H2,1-2H3,(H,16,20)
InChIKeyMWXVGIRSXFWAPX-UHFFFAOYSA-N
XLogP2.57
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265068
2-chloro-6-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 121019313
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265088
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
CID 122265353
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265064
2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 119102022
4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265187

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide (CID 119102039) is 3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCC(c1cccs1)n1cccn1.
What is the InChIKey of 3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is MWXVGIRSXFWAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10-14(11(2)21-18-10)15(20)16-9-12(13-5-3-8-22-13)19-7-4-6-17-19/h3-8,12H,9H2,1-2H3,(H,16,20).
What are the key properties of 3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 119102039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).