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

C19H16N4O2S — CID 3236204

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(-c4cccs4)on3)n2)cc1
InChIInChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24)
InChIKeyRDPHPUBCLSLYSK-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.21
Rot. Bonds5

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

N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3236204) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3236204
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(-c4cccs4)on3)n2)cc1
InChIInChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24)
InChIKeyRDPHPUBCLSLYSK-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

N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5-phenyl-3-isoxazolecarboxamide
CID 1253408
5-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide
CID 3237061
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
N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3242754
5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide
CID 3244953
5-isopropyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-3-isoxazolecarboxamide
CID 5308341
(5-methylisoxazol-3-yl)-N-{1-[(4-methylphenyl)methyl]pyrazol-3-yl}carboxamide
CID 9551033
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 24982323
5-Amino-1-propan-2-yl-3-(5-thiophen-3-yl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 137634508
5-Amino-1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 137654763
5-cyclopropyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide
CID 16188150

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3236204) is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4cccs4)on3)n2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is RDPHPUBCLSLYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-3-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-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3236204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).