(5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride

C7H8ClNO3S — CID 138989266

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(C2CC2)on1
InChIInChI=1S/C7H8ClNO3S/c8-13(10,11)4-6-3-7(12-9-6)5-1-2-5/h3,5H,1-2,4H2
InChIKeyVVPHHNHYTVSPNT-UHFFFAOYSA-N
MW221.66 g/mol
LogP1.62
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride

(5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride (PubChem CID 138989266) has the molecular formula C7H8ClNO3S and a molecular weight of 221.66 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride
PubChem CID138989266
Molecular FormulaC7H8ClNO3S
Molecular Weight221.66 g/mol
Exact Mass220.99
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(C2CC2)on1
InChIInChI=1S/C7H8ClNO3S/c8-13(10,11)4-6-3-7(12-9-6)5-1-2-5/h3,5H,1-2,4H2
InChIKeyVVPHHNHYTVSPNT-UHFFFAOYSA-N
XLogP1.62
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride (CID 138989266) is (5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(C2CC2)on1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
The InChIKey is VVPHHNHYTVSPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3S/c8-13(10,11)4-6-3-7(12-9-6)5-1-2-5/h3,5H,1-2,4H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
(5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride has a molecular weight of 221.66 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 138989266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).