5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid

C8H10ClNO3 — CID 84671910

IUPAC5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(C)c1oc(Cl)nc1C(=O)O
InChIInChI=1S/C8H10ClNO3/c1-8(2,3)5-4(6(11)12)10-7(9)13-5/h1-3H3,(H,11,12)
InChIKeyZOPCPERTFXUCDP-UHFFFAOYSA-N
MW203.62 g/mol
LogP2.32
Rot. Bonds1

About 5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid

5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid (PubChem CID 84671910) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid
PubChem CID84671910
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(C)c1oc(Cl)nc1C(=O)O
InChIInChI=1S/C8H10ClNO3/c1-8(2,3)5-4(6(11)12)10-7(9)13-5/h1-3H3,(H,11,12)
InChIKeyZOPCPERTFXUCDP-UHFFFAOYSA-N
XLogP2.32
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid (CID 84671910) is 5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid is CC(C)(C)c1oc(Cl)nc1C(=O)O.
What is the InChIKey of 5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid?
The InChIKey is ZOPCPERTFXUCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3/c1-8(2,3)5-4(6(11)12)10-7(9)13-5/h1-3H3,(H,11,12).
What are the key properties of 5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid?
5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid has a molecular weight of 203.62 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-chloro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 84671910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).