(5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone

C15H14FNO2S — CID 18950263

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone
SMILESCSCc1cc(F)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C15H14FNO2S/c1-20-8-10-6-11(16)4-5-12(10)14(18)13-7-17-19-15(13)9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeyYZUDVSHRWQNMIY-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.79
Rot. Bonds5

About (5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone (PubChem CID 18950263) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone
PubChem CID18950263
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone
SMILESCSCc1cc(F)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C15H14FNO2S/c1-20-8-10-6-11(16)4-5-12(10)14(18)13-7-17-19-15(13)9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeyYZUDVSHRWQNMIY-UHFFFAOYSA-N
XLogP3.79
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 67718573
[2-chloro-4-methylsulfanyl-3-(methylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 18950261
[2-bromo-4-(methylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 18950337
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone
CID 54389085
N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide
CID 18350520
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone
CID 54226370
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(2-fluoro-6-methylsulfanylphenyl)methyl]phenyl]methanone
CID 54564436
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
CID 18996915
[4-bromo-2-(tert-butylsulfinylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 150704628
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone
CID 54557923
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone
CID 54030727
(5-cyclopropyl-1,2-oxazol-4-yl)-[3,4-dichloro-2-(ethylsulfanylmethyl)phenyl]methanone
CID 18950244

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone (CID 18950263) is (5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone is CSCc1cc(F)ccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone?
The InChIKey is YZUDVSHRWQNMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-20-8-10-6-11(16)4-5-12(10)14(18)13-7-17-19-15(13)9-2-3-9/h4-7,9H,2-3,8H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone has a molecular weight of 291.35 g/mol, XLogP of 3.79, 5 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-fluoro-2-(methylsulfanylmethyl)phenyl]methanone is sourced from PubChem (CID 18950263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).