(E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine

C18H23FN4O3S — CID 6257345

IUPAC(E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine
SMILESCc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O3S/c1-14-18(17(26-20-14)8-9-21(2)3)27(24,25)23-12-10-22(11-13-23)16-6-4-15(19)5-7-16/h4-9H,10-13H2,1-3H3/b9-8+
InChIKeyHQIMYJOEFKPMEC-CMDGGOBGSA-N
MW394.47 g/mol
LogP2.17
Rot. Bonds5

About (E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine

(E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine (PubChem CID 6257345) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is (E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine
PubChem CID6257345
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC Name(E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine
SMILESCc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O3S/c1-14-18(17(26-20-14)8-9-21(2)3)27(24,25)23-12-10-22(11-13-23)16-6-4-15(19)5-7-16/h4-9H,10-13H2,1-3H3/b9-8+
InChIKeyHQIMYJOEFKPMEC-CMDGGOBGSA-N
XLogP2.17
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine?
The IUPAC name of (E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine (CID 6257345) is (E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine is Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine?
The InChIKey is HQIMYJOEFKPMEC-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c1-14-18(17(26-20-14)8-9-21(2)3)27(24,25)23-12-10-22(11-13-23)16-6-4-15(19)5-7-16/h4-9H,10-13H2,1-3H3/b9-8+.
What are the key properties of (E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine?
(E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine has a molecular weight of 394.47 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine is sourced from PubChem (CID 6257345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).