3-chloro-5-propan-2-yl-1,2-oxazole

C6H8ClNO — CID 58942651

IUPAC3-chloro-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(Cl)no1
InChIInChI=1S/C6H8ClNO/c1-4(2)5-3-6(7)8-9-5/h3-4H,1-2H3
InChIKeyLJWPTNQWLVBVCL-UHFFFAOYSA-N
MW145.59 g/mol
LogP2.45
Rot. Bonds1

About 3-chloro-5-propan-2-yl-1,2-oxazole

3-chloro-5-propan-2-yl-1,2-oxazole (PubChem CID 58942651) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is 3-chloro-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-chloro-5-propan-2-yl-1,2-oxazole
PubChem CID58942651
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name3-chloro-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(Cl)no1
InChIInChI=1S/C6H8ClNO/c1-4(2)5-3-6(7)8-9-5/h3-4H,1-2H3
InChIKeyLJWPTNQWLVBVCL-UHFFFAOYSA-N
XLogP2.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-chloro-5-propan-2-yl-1,2-oxazole (CID 58942651) is 3-chloro-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-chloro-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-chloro-5-propan-2-yl-1,2-oxazole is CC(C)c1cc(Cl)no1.
What is the InChIKey of 3-chloro-5-propan-2-yl-1,2-oxazole?
The InChIKey is LJWPTNQWLVBVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO/c1-4(2)5-3-6(7)8-9-5/h3-4H,1-2H3.
What are the key properties of 3-chloro-5-propan-2-yl-1,2-oxazole?
3-chloro-5-propan-2-yl-1,2-oxazole has a molecular weight of 145.59 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 58942651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).