4-chloro-3,5-dimethyl-1,2-oxazole

C5H6ClNO — CID 539493

IUPAC4-chloro-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cl
InChIInChI=1S/C5H6ClNO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChIKeyJTJWPHJWCFVTMS-UHFFFAOYSA-N
MW131.56 g/mol
LogP1.94
Rot. Bonds

About 4-chloro-3,5-dimethyl-1,2-oxazole

4-chloro-3,5-dimethyl-1,2-oxazole (PubChem CID 539493) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 4-chloro-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-chloro-3,5-dimethyl-1,2-oxazole
PubChem CID539493
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name4-chloro-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cl
InChIInChI=1S/C5H6ClNO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChIKeyJTJWPHJWCFVTMS-UHFFFAOYSA-N
XLogP1.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-chloro-3,5-dimethyl-1,2-oxazole (CID 539493) is 4-chloro-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-chloro-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-chloro-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1Cl.
What is the InChIKey of 4-chloro-3,5-dimethyl-1,2-oxazole?
The InChIKey is JTJWPHJWCFVTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO/c1-3-5(6)4(2)8-7-3/h1-2H3.
What are the key properties of 4-chloro-3,5-dimethyl-1,2-oxazole?
4-chloro-3,5-dimethyl-1,2-oxazole has a molecular weight of 131.56 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 539493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).