N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine

C25H23FN2O5S — CID 18825159

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
SMILESCOc1ccc(CCNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C25H23FN2O5S/c1-31-21-13-8-17(16-22(21)32-2)14-15-27-24-25(28-23(33-24)18-6-4-3-5-7-18)34(29,30)20-11-9-19(26)10-12-20/h3-13,16,27H,14-15H2,1-2H3
InChIKeyYDZCWROOPZKUJD-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.99
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine (PubChem CID 18825159) has the molecular formula C25H23FN2O5S and a molecular weight of 482.53 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
PubChem CID18825159
Molecular FormulaC25H23FN2O5S
Molecular Weight482.53 g/mol
Exact Mass482.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
SMILESCOc1ccc(CCNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C25H23FN2O5S/c1-31-21-13-8-17(16-22(21)32-2)14-15-27-24-25(28-23(33-24)18-6-4-3-5-7-18)34(29,30)20-11-9-19(26)10-12-20/h3-13,16,27H,14-15H2,1-2H3
InChIKeyYDZCWROOPZKUJD-UHFFFAOYSA-N
XLogP4.99
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827066
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18825366
N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825354
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 16649775
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazol-5-amine
CID 16649604
4-(benzenesulfonyl)-N-benzyl-2-(3,4-dimethoxyphenyl)-1,3-oxazol-5-amine
CID 1154494
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propoxyphenyl)-1,3-oxazol-5-amine
CID 16649947
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18827053
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 16650166
4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 2964752
N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18824708

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine (CID 18825159) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine is COc1ccc(CCNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is YDZCWROOPZKUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O5S/c1-31-21-13-8-17(16-22(21)32-2)14-15-27-24-25(28-23(33-24)18-6-4-3-5-7-18)34(29,30)20-11-9-19(26)10-12-20/h3-13,16,27H,14-15H2,1-2H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 482.53 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18825159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).