(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone

C13H10F5NO2S — CID 19367622

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone
SMILESO=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1cnoc1C1CC1
InChIInChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-8(4-6-10)12(20)11-7-19-21-13(11)9-1-2-9/h3-7,9H,1-2H2
InChIKeyIDRGJXRDFWEADM-UHFFFAOYSA-N
MW339.29 g/mol
LogP5.44
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone (PubChem CID 19367622) has the molecular formula C13H10F5NO2S and a molecular weight of 339.29 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone
PubChem CID19367622
Molecular FormulaC13H10F5NO2S
Molecular Weight339.29 g/mol
Exact Mass339.04
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone
SMILESO=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1cnoc1C1CC1
InChIInChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-8(4-6-10)12(20)11-7-19-21-13(11)9-1-2-9/h3-7,9H,1-2H2
InChIKeyIDRGJXRDFWEADM-UHFFFAOYSA-N
XLogP5.44
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.29
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
CID 11110559
(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone
CID 18977973
5-cyclopropyl-1,2-oxazole-4-carbonyl chloride
CID 14819893
(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone
CID 22072925
N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide
CID 21057633
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone
CID 54030727
(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methoxy-2-pyridinyl)methanone
CID 18996909
[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 67718573
[2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54224083
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
CID 18996915
(3-chloro-4-fluoro-2-methylsulfinylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 67803231
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone
CID 54389085

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone (CID 19367622) is (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone is O=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1cnoc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone?
The InChIKey is IDRGJXRDFWEADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-8(4-6-10)12(20)11-7-19-21-13(11)9-1-2-9/h3-7,9H,1-2H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone has a molecular weight of 339.29 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone is sourced from PubChem (CID 19367622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).