5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole

C19H18FNO3S2 — CID 2156995

IUPAC5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
SMILESCC[C@@H](C)Sc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3S2/c1-3-13(2)25-19-18(21-17(24-19)14-7-5-4-6-8-14)26(22,23)16-11-9-15(20)10-12-16/h4-13H,3H2,1-2H3/t13-/m1/s1
InChIKeyPCVVYBBWGAPHNJ-CYBMUJFWSA-N
MW391.49 g/mol
LogP5.20
Rot. Bonds6

About 5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole

5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole (PubChem CID 2156995) has the molecular formula C19H18FNO3S2 and a molecular weight of 391.49 g/mol. Its IUPAC name is 5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
PubChem CID2156995
Molecular FormulaC19H18FNO3S2
Molecular Weight391.49 g/mol
Exact Mass391.07
IUPAC Name5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
SMILESCC[C@@H](C)Sc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3S2/c1-3-13(2)25-19-18(21-17(24-19)14-7-5-4-6-8-14)26(22,23)16-11-9-15(20)10-12-16/h4-13H,3H2,1-2H3/t13-/m1/s1
InChIKeyPCVVYBBWGAPHNJ-CYBMUJFWSA-N
XLogP5.20
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butan-2-ylsulfanyl-4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 18553442
5-[(2S)-butan-2-yl]sulfanyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2156983
5-[(2S)-butan-2-yl]sulfanyl-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2157014
4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole
CID 751371
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole
CID 2157220
2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole
CID 138392110
2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
CID 2157069
5-butylsulfanyl-4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 2157066
4-(4-fluorophenyl)sulfonyl-N,2-diphenyl-1,3-oxazol-5-amine
CID 18825550
4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole
CID 8721893
4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 2964752
5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2964756

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole?
The IUPAC name of 5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole (CID 2156995) is 5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole is CC[C@@H](C)Sc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole?
The InChIKey is PCVVYBBWGAPHNJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18FNO3S2/c1-3-13(2)25-19-18(21-17(24-19)14-7-5-4-6-8-14)26(22,23)16-11-9-15(20)10-12-16/h4-13H,3H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole?
5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole has a molecular weight of 391.49 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 2156995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).