2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole

C15H12FNO3S — CID 129400180

IUPAC2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole
SMILESCc1occc1[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H12FNO3S/c1-10-14(6-7-19-10)21(18)9-13-8-20-15(17-13)11-2-4-12(16)5-3-11/h2-8H,9H2,1H3/t21-/m0/s1
InChIKeyBTXKFUMFUVNCEE-NRFANRHFSA-N
MW305.33 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole

2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole (PubChem CID 129400180) has the molecular formula C15H12FNO3S and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole
PubChem CID129400180
Molecular FormulaC15H12FNO3S
Molecular Weight305.33 g/mol
Exact Mass305.05
IUPAC Name2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole
SMILESCc1occc1[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H12FNO3S/c1-10-14(6-7-19-10)21(18)9-13-8-20-15(17-13)11-2-4-12(16)5-3-11/h2-8H,9H2,1H3/t21-/m0/s1
InChIKeyBTXKFUMFUVNCEE-NRFANRHFSA-N
XLogP3.69
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
(2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide
CID 95323940
4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole
CID 55573866
2-(4-fluorophenyl)-4-(2-methylsulfonylethylsulfonylmethyl)-1,3-oxazole
CID 47563050
4-(benzylsulfinylmethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 47024674
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 55544759
2-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxazole
CID 102468704
4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 78845847
4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 61373650
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915159
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole (CID 129400180) is 2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole is Cc1occc1[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole?
The InChIKey is BTXKFUMFUVNCEE-NRFANRHFSA-N. The full InChI is InChI=1S/C15H12FNO3S/c1-10-14(6-7-19-10)21(18)9-13-8-20-15(17-13)11-2-4-12(16)5-3-11/h2-8H,9H2,1H3/t21-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole?
2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole has a molecular weight of 305.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole is sourced from PubChem (CID 129400180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).