3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C12H13N3O4S — CID 107369370

IUPAC3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)(C)c1csc(NC(=O)c2cc(C(=O)O)on2)n1
InChIInChI=1S/C12H13N3O4S/c1-12(2,3)8-5-20-11(13-8)14-9(16)6-4-7(10(17)18)19-15-6/h4-5H,1-3H3,(H,17,18)(H,13,14,16)
InChIKeyJWKKPVNDSQHUNR-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.38
Rot. Bonds3

About 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369370) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369370
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)(C)c1csc(NC(=O)c2cc(C(=O)O)on2)n1
InChIInChI=1S/C12H13N3O4S/c1-12(2,3)8-5-20-11(13-8)14-9(16)6-4-7(10(17)18)19-15-6/h4-5H,1-3H3,(H,17,18)(H,13,14,16)
InChIKeyJWKKPVNDSQHUNR-UHFFFAOYSA-N
XLogP2.38
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 4619806
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80618012
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
CID 113323542
5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 81316674
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2380414
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 86975559
4-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 54960547
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 17394808
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide
CID 62000856

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369370) is 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CC(C)(C)c1csc(NC(=O)c2cc(C(=O)O)on2)n1.
What is the InChIKey of 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is JWKKPVNDSQHUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-12(2,3)8-5-20-11(13-8)14-9(16)6-4-7(10(17)18)19-15-6/h4-5H,1-3H3,(H,17,18)(H,13,14,16).
What are the key properties of 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).