N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine

C23H19FN2O4S — CID 18890238

IUPACN-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCOc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2NCc2ccccc2)cc1
InChIInChI=1S/C23H19FN2O4S/c1-29-19-11-13-20(14-12-19)31(27,28)23-22(25-15-16-5-3-2-4-6-16)30-21(26-23)17-7-9-18(24)10-8-17/h2-14,25H,15H2,1H3
InChIKeyZUCFMVWKPDDILE-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.93
Rot. Bonds7

About N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine

N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 18890238) has the molecular formula C23H19FN2O4S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID18890238
Molecular FormulaC23H19FN2O4S
Molecular Weight438.48 g/mol
Exact Mass438.10
IUPAC NameN-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCOc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2NCc2ccccc2)cc1
InChIInChI=1S/C23H19FN2O4S/c1-29-19-11-13-20(14-12-19)31(27,28)23-22(25-15-16-5-3-2-4-6-16)30-21(26-23)17-7-9-18(24)10-8-17/h2-14,25H,15H2,1H3
InChIKeyZUCFMVWKPDDILE-UHFFFAOYSA-N
XLogP4.93
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine (CID 18890238) is N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine is COc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is ZUCFMVWKPDDILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S/c1-29-19-11-13-20(14-12-19)31(27,28)23-22(25-15-16-5-3-2-4-6-16)30-21(26-23)17-7-9-18(24)10-8-17/h2-14,25H,15H2,1H3.
What are the key properties of N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine?
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 438.48 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18890238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).