(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone

C15H15NO5S — CID 22072925

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnoc2C2CC2)cc1S(C)(=O)=O
InChIInChI=1S/C15H15NO5S/c1-20-12-6-5-10(7-13(12)22(2,18)19)14(17)11-8-16-21-15(11)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyYAUBTGUUBBEXQW-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.20
Rot. Bonds5

About (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone (PubChem CID 22072925) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone
PubChem CID22072925
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnoc2C2CC2)cc1S(C)(=O)=O
InChIInChI=1S/C15H15NO5S/c1-20-12-6-5-10(7-13(12)22(2,18)19)14(17)11-8-16-21-15(11)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyYAUBTGUUBBEXQW-UHFFFAOYSA-N
XLogP2.20
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone (CID 22072925) is (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone is COc1ccc(C(=O)c2cnoc2C2CC2)cc1S(C)(=O)=O.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone?
The InChIKey is YAUBTGUUBBEXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-20-12-6-5-10(7-13(12)22(2,18)19)14(17)11-8-16-21-15(11)9-3-4-9/h5-9H,3-4H2,1-2H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone has a molecular weight of 321.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 22072925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).