5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid

C14H13N3O3S — CID 66128674

IUPAC5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
SMILESCCn1nc(C)cc1-c1oc(-c2cccs2)nc1C(=O)O
InChIInChI=1S/C14H13N3O3S/c1-3-17-9(7-8(2)16-17)12-11(14(18)19)15-13(20-12)10-5-4-6-21-10/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyVMIHGRHQRZUPTO-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.29
Rot. Bonds4

About 5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid

5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid (PubChem CID 66128674) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
PubChem CID66128674
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
SMILESCCn1nc(C)cc1-c1oc(-c2cccs2)nc1C(=O)O
InChIInChI=1S/C14H13N3O3S/c1-3-17-9(7-8(2)16-17)12-11(14(18)19)15-13(20-12)10-5-4-6-21-10/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyVMIHGRHQRZUPTO-UHFFFAOYSA-N
XLogP3.29
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethylphenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 28547704
5-(3,5-dichlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 29271509
5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 66120095
5-(4-bromo-3-chlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 81290019
5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 81454327
1-ethyl-5-thiophen-2-yltriazole-4-carboxylic acid
CID 82207138
5-(1-methylsulfonylethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 104517925
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51947532
2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine
CID 82470463
ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
CID 89038665
[(2S)-2-cyclohexylpyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 52535097
2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 66128650

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid (CID 66128674) is 5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid is CCn1nc(C)cc1-c1oc(-c2cccs2)nc1C(=O)O.
What is the InChIKey of 5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid?
The InChIKey is VMIHGRHQRZUPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-3-17-9(7-8(2)16-17)12-11(14(18)19)15-13(20-12)10-5-4-6-21-10/h4-7H,3H2,1-2H3,(H,18,19).
What are the key properties of 5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid?
5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 66128674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).