5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid

C11H9NO3S — CID 91811880

IUPAC5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccsc2)noc1C1CC1
InChIInChI=1S/C11H9NO3S/c13-11(14)8-9(7-3-4-16-5-7)12-15-10(8)6-1-2-6/h3-6H,1-2H2,(H,13,14)
InChIKeyXZBIBANZXAKUPF-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.98
Rot. Bonds3

About 5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid

5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 91811880) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
PubChem CID91811880
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccsc2)noc1C1CC1
InChIInChI=1S/C11H9NO3S/c13-11(14)8-9(7-3-4-16-5-7)12-15-10(8)6-1-2-6/h3-6H,1-2H2,(H,13,14)
InChIKeyXZBIBANZXAKUPF-UHFFFAOYSA-N
XLogP2.98
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid (CID 91811880) is 5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(-c2ccsc2)noc1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is XZBIBANZXAKUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c13-11(14)8-9(7-3-4-16-5-7)12-15-10(8)6-1-2-6/h3-6H,1-2H2,(H,13,14).
What are the key properties of 5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid?
5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 91811880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).