N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide

C15H16FN3O4S — CID 110392652

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(C(=O)c1nnc(-c2ccc(F)cc2)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H16FN3O4S/c1-2-19(12-7-8-24(21,22)9-12)15(20)14-18-17-13(23-14)10-3-5-11(16)6-4-10/h3-6,12H,2,7-9H2,1H3
InChIKeyZSIPMFPIRUNCMH-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.52
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392652) has the molecular formula C15H16FN3O4S and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392652
Molecular FormulaC15H16FN3O4S
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(C(=O)c1nnc(-c2ccc(F)cc2)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H16FN3O4S/c1-2-19(12-7-8-24(21,22)9-12)15(20)14-18-17-13(23-14)10-3-5-11(16)6-4-10/h3-6,12H,2,7-9H2,1H3
InChIKeyZSIPMFPIRUNCMH-UHFFFAOYSA-N
XLogP1.52
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7633122
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391704
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 51114006
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 52532535
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 7633112
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(4-fluorophenyl)urea
CID 108866926
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-fluorophenyl)butanamide
CID 110316535
3-[[(1,1-dioxothiolan-3-yl)-ethylamino]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 42926861
3-(N-acetyl-4-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 113126878
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24679501
N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 112994249
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 96574310

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392652) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is CCN(C(=O)c1nnc(-c2ccc(F)cc2)o1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ZSIPMFPIRUNCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4S/c1-2-19(12-7-8-24(21,22)9-12)15(20)14-18-17-13(23-14)10-3-5-11(16)6-4-10/h3-6,12H,2,7-9H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).