2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid

C8H9NO3S — CID 106920740

IUPAC2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)C(Sc1ncco1)C1CC1
InChIInChI=1S/C8H9NO3S/c10-7(11)6(5-1-2-5)13-8-9-3-4-12-8/h3-6H,1-2H2,(H,10,11)
InChIKeyXVPDEYFUJDUIPL-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.63
Rot. Bonds4

About 2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid

2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid (PubChem CID 106920740) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
PubChem CID106920740
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)C(Sc1ncco1)C1CC1
InChIInChI=1S/C8H9NO3S/c10-7(11)6(5-1-2-5)13-8-9-3-4-12-8/h3-6H,1-2H2,(H,10,11)
InChIKeyXVPDEYFUJDUIPL-UHFFFAOYSA-N
XLogP1.63
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid (CID 106920740) is 2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid is O=C(O)C(Sc1ncco1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid?
The InChIKey is XVPDEYFUJDUIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c10-7(11)6(5-1-2-5)13-8-9-3-4-12-8/h3-6H,1-2H2,(H,10,11).
What are the key properties of 2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid?
2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid has a molecular weight of 199.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid is sourced from PubChem (CID 106920740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).