2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid

C10H9NO3S — CID 96605853

IUPAC2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(C3CCC3)oc2s1
InChIInChI=1S/C10H9NO3S/c12-9(13)7-4-6-10(15-7)14-8(11-6)5-2-1-3-5/h4-5H,1-3H2,(H,12,13)
InChIKeyRSOCSSUQVLGMJC-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.86
Rot. Bonds2

About 2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid

2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid (PubChem CID 96605853) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid
PubChem CID96605853
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(C3CCC3)oc2s1
InChIInChI=1S/C10H9NO3S/c12-9(13)7-4-6-10(15-7)14-8(11-6)5-2-1-3-5/h4-5H,1-3H2,(H,12,13)
InChIKeyRSOCSSUQVLGMJC-UHFFFAOYSA-N
XLogP2.86
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317
2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
2-cyclobutyl-1,3-oxazole-4-carboxylic acid
CID 53399655
2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid
CID 54270263
5-bromo-4-cyclopropylthiophene-2-carboxylic acid
CID 146079390
6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 104752357
2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 9203907
2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde
CID 82396380
2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole
CID 96612054
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid?
The IUPAC name of 2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid (CID 96605853) is 2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid?
The canonical SMILES for 2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid is O=C(O)c1cc2nc(C3CCC3)oc2s1.
What is the InChIKey of 2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid?
The InChIKey is RSOCSSUQVLGMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-9(13)7-4-6-10(15-7)14-8(11-6)5-2-1-3-5/h4-5H,1-3H2,(H,12,13).
What are the key properties of 2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid?
2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylthieno[3,2-d][1,3]oxazole-5-carboxylic acid is sourced from PubChem (CID 96605853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).