N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

C17H19FN2O4S — CID 51929356

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H19FN2O4S/c1-20(14-8-9-25(22,23)11-14)17(21)7-6-16-19-10-15(24-16)12-2-4-13(18)5-3-12/h2-5,10,14H,6-9,11H2,1H3/t14-/m1/s1
InChIKeyPVTZWHOTLGXEJV-CQSZACIVSA-N
MW366.41 g/mol
LogP2.06
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (PubChem CID 51929356) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
PubChem CID51929356
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H19FN2O4S/c1-20(14-8-9-25(22,23)11-14)17(21)7-6-16-19-10-15(24-16)12-2-4-13(18)5-3-12/h2-5,10,14H,6-9,11H2,1H3/t14-/m1/s1
InChIKeyPVTZWHOTLGXEJV-CQSZACIVSA-N
XLogP2.06
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551279
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 7633112
N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide
CID 109026637
(3R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 51981068
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551955
N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenyl)ethylamino]-N-methylpropanamide
CID 109025084
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31850784
N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 55812679
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide
CID 55494607
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86848666
N-ethyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)propanamide
CID 78855488
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (CID 51929356) is N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is CN(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The InChIKey is PVTZWHOTLGXEJV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-20(14-8-9-25(22,23)11-14)17(21)7-6-16-19-10-15(24-16)12-2-4-13(18)5-3-12/h2-5,10,14H,6-9,11H2,1H3/t14-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide has a molecular weight of 366.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 51929356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).