ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole

C19H20FNO3S — CID 142959263

IUPACethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCC.Cc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C17H14FNO3S.C2H6/c1-11-19-16(12-3-7-14(18)8-4-12)17(22-11)13-5-9-15(10-6-13)23(2,20)21;1-2/h3-10H,1-2H3;1-2H3
InChIKeySDVXDOBSANQAHX-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.89
Rot. Bonds3

About ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole

ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole (PubChem CID 142959263) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Nameethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
PubChem CID142959263
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Nameethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCC.Cc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C17H14FNO3S.C2H6/c1-11-19-16(12-3-7-14(18)8-4-12)17(22-11)13-5-9-15(10-6-13)23(2,20)21;1-2/h3-10H,1-2H3;1-2H3
InChIKeySDVXDOBSANQAHX-UHFFFAOYSA-N
XLogP4.89
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 19698542
2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole
CID 10041271
[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate
CID 57275344
3-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanoic acid
CID 11949393
2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 57159559
2-[4-(4-fluorophenyl)-5-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-1,3-oxazol-2-yl]acetic acid
CID 143009168
5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54150112
5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole
CID 18463709
ethyl 3-cyclohexa-1,5-dien-1-yl-2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanoate
CID 142836888
2-[5-(4-ethylsulfonylphenyl)-4-(4-fluorophenyl)-1,3-oxazol-2-yl]acetic acid
CID 70212383
4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole
CID 18701525
2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide
CID 175827402

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole (CID 142959263) is ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole is CC.Cc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1.
What is the InChIKey of ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The InChIKey is SDVXDOBSANQAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S.C2H6/c1-11-19-16(12-3-7-14(18)8-4-12)17(22-11)13-5-9-15(10-6-13)23(2,20)21;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole has a molecular weight of 361.44 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 142959263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).