2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine

C20H18F2N2O4S — CID 18824850

IUPAC2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(F)cc2)oc1NCC1CCCO1
InChIInChI=1S/C20H18F2N2O4S/c21-14-5-3-13(4-6-14)18-24-20(19(28-18)23-12-16-2-1-11-27-16)29(25,26)17-9-7-15(22)8-10-17/h3-10,16,23H,1-2,11-12H2
InChIKeyGTJSDBYBOFIPCW-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.04
Rot. Bonds6

About 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine

2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine (PubChem CID 18824850) has the molecular formula C20H18F2N2O4S and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
PubChem CID18824850
Molecular FormulaC20H18F2N2O4S
Molecular Weight420.44 g/mol
Exact Mass420.10
IUPAC Name2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(F)cc2)oc1NCC1CCCO1
InChIInChI=1S/C20H18F2N2O4S/c21-14-5-3-13(4-6-14)18-24-20(19(28-18)23-12-16-2-1-11-27-16)29(25,26)17-9-7-15(22)8-10-17/h3-10,16,23H,1-2,11-12H2
InChIKeyGTJSDBYBOFIPCW-UHFFFAOYSA-N
XLogP4.04
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 18827051
2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 2347862
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 6914906
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 2148054
4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 51664429
2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 42587637
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 16649902
2-[[4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41239088
N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18824708
2-[[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2068269
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18824906
4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 4825655

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine (CID 18824850) is 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine is O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(F)cc2)oc1NCC1CCCO1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine?
The InChIKey is GTJSDBYBOFIPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4S/c21-14-5-3-13(4-6-14)18-24-20(19(28-18)23-12-16-2-1-11-27-16)29(25,26)17-9-7-15(22)8-10-17/h3-10,16,23H,1-2,11-12H2.
What are the key properties of 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine?
2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine has a molecular weight of 420.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18824850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).