(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone

C15H15NO2S — CID 18977973

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone
SMILESCSc1cc(C(=O)c2cnoc2C2CC2)ccc1C
InChIInChI=1S/C15H15NO2S/c1-9-3-4-11(7-13(9)19-2)14(17)12-8-16-18-15(12)10-5-6-10/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyLGIVNRVDNOVZLL-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.81
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone (PubChem CID 18977973) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone
PubChem CID18977973
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone
SMILESCSc1cc(C(=O)c2cnoc2C2CC2)ccc1C
InChIInChI=1S/C15H15NO2S/c1-9-3-4-11(7-13(9)19-2)14(17)12-8-16-18-15(12)10-5-6-10/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyLGIVNRVDNOVZLL-UHFFFAOYSA-N
XLogP3.81
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.81
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-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone (CID 18977973) is (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone is CSc1cc(C(=O)c2cnoc2C2CC2)ccc1C.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone?
The InChIKey is LGIVNRVDNOVZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-9-3-4-11(7-13(9)19-2)14(17)12-8-16-18-15(12)10-5-6-10/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone has a molecular weight of 273.36 g/mol, XLogP of 3.81, 4 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-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone is sourced from PubChem (CID 18977973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).