4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid

C7H7ClN2O3 — CID 112711602

IUPAC4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(NC2CC2)c1Cl
InChIInChI=1S/C7H7ClN2O3/c8-4-5(7(11)12)10-13-6(4)9-3-1-2-3/h3,9H,1-2H2,(H,11,12)
InChIKeyXWYFATMNAJBBLY-UHFFFAOYSA-N
MW202.60 g/mol
LogP1.60
Rot. Bonds3

About 4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid

4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid (PubChem CID 112711602) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is 4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid
PubChem CID112711602
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Name4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(NC2CC2)c1Cl
InChIInChI=1S/C7H7ClN2O3/c8-4-5(7(11)12)10-13-6(4)9-3-1-2-3/h3,9H,1-2H2,(H,11,12)
InChIKeyXWYFATMNAJBBLY-UHFFFAOYSA-N
XLogP1.60
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid (CID 112711602) is 4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid is O=C(O)c1noc(NC2CC2)c1Cl.
What is the InChIKey of 4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid?
The InChIKey is XWYFATMNAJBBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c8-4-5(7(11)12)10-13-6(4)9-3-1-2-3/h3,9H,1-2H2,(H,11,12).
What are the key properties of 4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid?
4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid has a molecular weight of 202.60 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(cyclopropylamino)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 112711602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).