1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H14FN3O4S — CID 168713532

IUPAC1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(C)(C)c1nnc(N2CC(S(=O)(=O)F)CC2=O)o1
InChIInChI=1S/C10H14FN3O4S/c1-10(2,3)8-12-13-9(18-8)14-5-6(4-7(14)15)19(11,16)17/h6H,4-5H2,1-3H3
InChIKeyFONYLLLMNZSESX-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.77
Rot. Bonds2

About 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713532) has the molecular formula C10H14FN3O4S and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713532
Molecular FormulaC10H14FN3O4S
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(C)(C)c1nnc(N2CC(S(=O)(=O)F)CC2=O)o1
InChIInChI=1S/C10H14FN3O4S/c1-10(2,3)8-12-13-9(18-8)14-5-6(4-7(14)15)19(11,16)17/h6H,4-5H2,1-3H3
InChIKeyFONYLLLMNZSESX-UHFFFAOYSA-N
XLogP0.77
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-4-ethynylpyrrolidin-2-one
CID 168500301
1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716315
1-(3-tert-butylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713526
1-(3-ethynylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713435
4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
CID 168686730
1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447
5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716296
methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate
CID 168713987
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713516
1-(4,5-diamino-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716158
1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714654
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713532) is 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is CC(C)(C)c1nnc(N2CC(S(=O)(=O)F)CC2=O)o1.
What is the InChIKey of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is FONYLLLMNZSESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O4S/c1-10(2,3)8-12-13-9(18-8)14-5-6(4-7(14)15)19(11,16)17/h6H,4-5H2,1-3H3.
What are the key properties of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 291.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).