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

C19H16N4O2S — CID 3239053

IUPACN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1Cn1cc(NC(=O)c2cc(-c3cccs3)on2)cn1
InChIInChI=1S/C19H16N4O2S/c1-13-5-2-3-6-14(13)11-23-12-15(10-20-23)21-19(24)16-9-17(25-22-16)18-7-4-8-26-18/h2-10,12H,11H2,1H3,(H,21,24)
InChIKeyGEVLBWGIVGGVHL-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.21
Rot. Bonds5

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

N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3239053) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3239053
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1Cn1cc(NC(=O)c2cc(-c3cccs3)on2)cn1
InChIInChI=1S/C19H16N4O2S/c1-13-5-2-3-6-14(13)11-23-12-15(10-20-23)21-19(24)16-9-17(25-22-16)18-7-4-8-26-18/h2-10,12H,11H2,1H3,(H,21,24)
InChIKeyGEVLBWGIVGGVHL-UHFFFAOYSA-N
XLogP4.21
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761
N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-5-thien-2-ylisoxazole-3-carboxamide
CID 3238148
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3239898
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 24982323
N-[1-(3-Fluorobenzyl)-1H-pyrazol-4-YL]-5-phenyl-3-isoxazolecarboxamide
CID 4867418
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methylsulfonylbenzamide
CID 57422276
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 146220519
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 146220560
N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 146220630
5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220662
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 147045813

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3239053) is N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3cccs3)on2)cn1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is GEVLBWGIVGGVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-13-5-2-3-6-14(13)11-23-12-15(10-20-23)21-19(24)16-9-17(25-22-16)18-7-4-8-26-18/h2-10,12H,11H2,1H3,(H,21,24).
What are the key properties of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3239053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).