N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine

C23H18F2N2O3S — CID 18825299

IUPACN-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(NCc2ccc(F)cc2)o1
InChIInChI=1S/C23H18F2N2O3S/c1-15-4-2-3-5-20(15)21-27-23(31(28,29)19-12-10-18(25)11-13-19)22(30-21)26-14-16-6-8-17(24)9-7-16/h2-13,26H,14H2,1H3
InChIKeySGKJOFSUVIPBCJ-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.37
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine

N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 18825299) has the molecular formula C23H18F2N2O3S and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
PubChem CID18825299
Molecular FormulaC23H18F2N2O3S
Molecular Weight440.47 g/mol
Exact Mass440.10
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(NCc2ccc(F)cc2)o1
InChIInChI=1S/C23H18F2N2O3S/c1-15-4-2-3-5-20(15)21-27-23(31(28,29)19-12-10-18(25)11-13-19)22(30-21)26-14-16-6-8-17(24)9-7-16/h2-13,26H,14H2,1H3
InChIKeySGKJOFSUVIPBCJ-UHFFFAOYSA-N
XLogP5.37
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 70165822
N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18890355
2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18826583
4-(4-fluorophenyl)sulfonyl-N-methyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 4825640
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 18826933
N-[(2R)-butan-2-yl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 2219652
N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 2964748
4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18825590
4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825520
N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890234
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18827053
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine (CID 18825299) is N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine is Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(NCc2ccc(F)cc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is SGKJOFSUVIPBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O3S/c1-15-4-2-3-5-20(15)21-27-23(31(28,29)19-12-10-18(25)11-13-19)22(30-21)26-14-16-6-8-17(24)9-7-16/h2-13,26H,14H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine?
N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 440.47 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18825299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).