2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine

C21H23FN2O4S — CID 18826177

IUPAC2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
SMILESCCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCC(C)C)o2)cc1
InChIInChI=1S/C21H23FN2O4S/c1-4-27-17-9-5-15(6-10-17)19-24-21(20(28-19)23-13-14(2)3)29(25,26)18-11-7-16(22)8-12-18/h5-12,14,23H,4,13H2,1-3H3
InChIKeyANCXNCFMGUVJRO-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.78
Rot. Bonds8

About 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine

2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine (PubChem CID 18826177) has the molecular formula C21H23FN2O4S and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
PubChem CID18826177
Molecular FormulaC21H23FN2O4S
Molecular Weight418.49 g/mol
Exact Mass418.14
IUPAC Name2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
SMILESCCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCC(C)C)o2)cc1
InChIInChI=1S/C21H23FN2O4S/c1-4-27-17-9-5-15(6-10-17)19-24-21(20(28-19)23-13-14(2)3)29(25,26)18-11-7-16(22)8-12-18/h5-12,14,23H,4,13H2,1-3H3
InChIKeyANCXNCFMGUVJRO-UHFFFAOYSA-N
XLogP4.78
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenyl)-N-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825942
4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 18825777
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18826825
N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18824708
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)-2-(4-propoxyphenyl)-1,3-oxazol-5-amine
CID 16649928
2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-oxazole
CID 18826180
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18827053
4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826076
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826141
4-(4-bromophenyl)sulfonyl-2-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazol-5-amine
CID 18826304
2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18825000

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine (CID 18826177) is 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine is CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCC(C)C)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine?
The InChIKey is ANCXNCFMGUVJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4S/c1-4-27-17-9-5-15(6-10-17)19-24-21(20(28-19)23-13-14(2)3)29(25,26)18-11-7-16(22)8-12-18/h5-12,14,23H,4,13H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine?
2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine has a molecular weight of 418.49 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).