N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C15H16FN3O4S — CID 110330731

IUPACN-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H16FN3O4S/c16-12-4-2-1-3-11(12)15-18-14(23-19-15)6-5-13(20)17-10-7-8-24(21,22)9-10/h1-4,10H,5-9H2,(H,17,20)
InChIKeyCSQFYJIKZTVXNJ-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.11
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 110330731) has the molecular formula C15H16FN3O4S and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID110330731
Molecular FormulaC15H16FN3O4S
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H16FN3O4S/c16-12-4-2-1-3-11(12)15-18-14(23-19-15)6-5-13(20)17-10-7-8-24(21,22)9-10/h1-4,10H,5-9H2,(H,17,20)
InChIKeyCSQFYJIKZTVXNJ-UHFFFAOYSA-N
XLogP1.11
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46559142
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 96558035
N-(1,1-dioxothiolan-3-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453480
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38017187
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761277
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 62716288
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 146039835
N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18137647
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 110330727
N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 47012967
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 156585056

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 110330731) is N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccccc2F)no1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is CSQFYJIKZTVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4S/c16-12-4-2-1-3-11(12)15-18-14(23-19-15)6-5-13(20)17-10-7-8-24(21,22)9-10/h1-4,10H,5-9H2,(H,17,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 353.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 110330731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).