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

C23H19FN2O4S — CID 18890234

IUPACN-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCOc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2NCc2ccccc2)cc1
InChIInChI=1S/C23H19FN2O4S/c1-29-17-11-13-18(14-12-17)31(27,28)23-22(25-15-16-7-3-2-4-8-16)30-21(26-23)19-9-5-6-10-20(19)24/h2-14,25H,15H2,1H3
InChIKeyVMKFZWKWTDVEPW-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.93
Rot. Bonds7

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

N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 18890234) has the molecular formula C23H19FN2O4S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID18890234
Molecular FormulaC23H19FN2O4S
Molecular Weight438.48 g/mol
Exact Mass438.10
IUPAC NameN-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCOc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2NCc2ccccc2)cc1
InChIInChI=1S/C23H19FN2O4S/c1-29-17-11-13-18(14-12-17)31(27,28)23-22(25-15-16-7-3-2-4-8-16)30-21(26-23)19-9-5-6-10-20(19)24/h2-14,25H,15H2,1H3
InChIKeyVMKFZWKWTDVEPW-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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Related Compounds

N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238
4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18826885
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 18826933
N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine
CID 18890568
N-benzyl-2-(4-tert-butylphenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890276
N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-amine
CID 18890540
N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825299
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826947
4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
CID 18826754
N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18890355
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18827053
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825407

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine (CID 18890234) is N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine is COc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is VMKFZWKWTDVEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S/c1-29-17-11-13-18(14-12-17)31(27,28)23-22(25-15-16-7-3-2-4-8-16)30-21(26-23)19-9-5-6-10-20(19)24/h2-14,25H,15H2,1H3.
What are the key properties of N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine?
N-benzyl-2-(2-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-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18890234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).