(E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide

C14H14FN3O4S — CID 9188764

IUPAC(E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide
SMILESCS(=O)(=O)c1nnc(CCNC(=O)/C=C/c2ccc(F)cc2)o1
InChIInChI=1S/C14H14FN3O4S/c1-23(20,21)14-18-17-13(22-14)8-9-16-12(19)7-4-10-2-5-11(15)6-3-10/h2-7H,8-9H2,1H3,(H,16,19)/b7-4+
InChIKeyLBEJGXGVYDXHRM-QPJJXVBHSA-N
MW339.35 g/mol
LogP0.98
Rot. Bonds6

About (E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide (PubChem CID 9188764) has the molecular formula C14H14FN3O4S and a molecular weight of 339.35 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide
PubChem CID9188764
Molecular FormulaC14H14FN3O4S
Molecular Weight339.35 g/mol
Exact Mass339.07
IUPAC Name(E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide
SMILESCS(=O)(=O)c1nnc(CCNC(=O)/C=C/c2ccc(F)cc2)o1
InChIInChI=1S/C14H14FN3O4S/c1-23(20,21)14-18-17-13(22-14)8-9-16-12(19)7-4-10-2-5-11(15)6-3-10/h2-7H,8-9H2,1H3,(H,16,19)/b7-4+
InChIKeyLBEJGXGVYDXHRM-QPJJXVBHSA-N
XLogP0.98
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]prop-2-enamide
CID 9189136
(E)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 9188470
(E)-3-(2,5-dimethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide
CID 9188775
1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9188614
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
(E)-N-(2-tert-butylsulfonylethyl)-3-(4-fluorophenyl)prop-2-enamide
CID 75407386
3-(4-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 77044250
4-fluoro-N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 9190243
(E)-3-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9392326
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 9188757
N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbutanamide
CID 9190207
(E)-3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932622

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide (CID 9188764) is (E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide is CS(=O)(=O)c1nnc(CCNC(=O)/C=C/c2ccc(F)cc2)o1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide?
The InChIKey is LBEJGXGVYDXHRM-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H14FN3O4S/c1-23(20,21)14-18-17-13(22-14)8-9-16-12(19)7-4-10-2-5-11(15)6-3-10/h2-7H,8-9H2,1H3,(H,16,19)/b7-4+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide has a molecular weight of 339.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 9188764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).