2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid

C9H8ClN3O3 — CID 59813981

IUPAC2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid
SMILESCc1c(Cl)c(-c2ncco2)nn1CC(=O)O
InChIInChI=1S/C9H8ClN3O3/c1-5-7(10)8(9-11-2-3-16-9)12-13(5)4-6(14)15/h2-3H,4H2,1H3,(H,14,15)
InChIKeyIZAXGDHHSZZDJC-UHFFFAOYSA-N
MW241.63 g/mol
LogP1.58
Rot. Bonds3

About 2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid

2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid (PubChem CID 59813981) has the molecular formula C9H8ClN3O3 and a molecular weight of 241.63 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid
PubChem CID59813981
Molecular FormulaC9H8ClN3O3
Molecular Weight241.63 g/mol
Exact Mass241.03
IUPAC Name2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid
SMILESCc1c(Cl)c(-c2ncco2)nn1CC(=O)O
InChIInChI=1S/C9H8ClN3O3/c1-5-7(10)8(9-11-2-3-16-9)12-13(5)4-6(14)15/h2-3H,4H2,1H3,(H,14,15)
InChIKeyIZAXGDHHSZZDJC-UHFFFAOYSA-N
XLogP1.58
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid (CID 59813981) is 2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid is Cc1c(Cl)c(-c2ncco2)nn1CC(=O)O.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid?
The InChIKey is IZAXGDHHSZZDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O3/c1-5-7(10)8(9-11-2-3-16-9)12-13(5)4-6(14)15/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of 2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid?
2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid has a molecular weight of 241.63 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 59813981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).