(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone

C22H20FNO3S — CID 54557923

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone
SMILESCc1c(S(C)=O)ccc(C(=O)c2cnoc2C2CC2)c1Cc1ccc(F)cc1
InChIInChI=1S/C22H20FNO3S/c1-13-18(11-14-3-7-16(23)8-4-14)17(9-10-20(13)28(2)26)21(25)19-12-24-27-22(19)15-5-6-15/h3-4,7-10,12,15H,5-6,11H2,1-2H3
InChIKeyZOLWPIUTDPWYTL-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.56
Rot. Bonds6

About (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone (PubChem CID 54557923) has the molecular formula C22H20FNO3S and a molecular weight of 397.47 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone
PubChem CID54557923
Molecular FormulaC22H20FNO3S
Molecular Weight397.47 g/mol
Exact Mass397.11
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone
SMILESCc1c(S(C)=O)ccc(C(=O)c2cnoc2C2CC2)c1Cc1ccc(F)cc1
InChIInChI=1S/C22H20FNO3S/c1-13-18(11-14-3-7-16(23)8-4-14)17(9-10-20(13)28(2)26)21(25)19-12-24-27-22(19)15-5-6-15/h3-4,7-10,12,15H,5-6,11H2,1-2H3
InChIKeyZOLWPIUTDPWYTL-UHFFFAOYSA-N
XLogP4.56
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone with MolForge

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Related Compounds

[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 67718573
(3-chloro-4-fluoro-2-methylsulfinylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 67803231
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone
CID 18950263
[3-bromo-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]methanesulfinate
CID 174310300
[2-[(2-chloro-6-methylsulfinylphenyl)methyl]phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 67718243
[4-chloro-3-methylsulfinyl-2-(2,2,2-trifluoroethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54473088
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone
CID 54030727
[2-[(3-chlorophenyl)methyl]-4-methylsulfinylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54386377
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfinyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 54212735
N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide
CID 18350520
(5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone
CID 54490897
[2-bromo-4-(methylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 18950337

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone (CID 54557923) is (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone is Cc1c(S(C)=O)ccc(C(=O)c2cnoc2C2CC2)c1Cc1ccc(F)cc1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone?
The InChIKey is ZOLWPIUTDPWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3S/c1-13-18(11-14-3-7-16(23)8-4-14)17(9-10-20(13)28(2)26)21(25)19-12-24-27-22(19)15-5-6-15/h3-4,7-10,12,15H,5-6,11H2,1-2H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone has a molecular weight of 397.47 g/mol, XLogP of 4.56, 6 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)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone is sourced from PubChem (CID 54557923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).