2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide

C18H18FN5O4S — CID 74912578

IUPAC2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCC1=NC(=O)N(C)C(=O)C1CCc1nnc(SCC(=O)Nc2ccccc2F)o1
InChIInChI=1S/C18H18FN5O4S/c1-10-11(16(26)24(2)17(27)20-10)7-8-15-22-23-18(28-15)29-9-14(25)21-13-6-4-3-5-12(13)19/h3-6,11H,7-9H2,1-2H3,(H,21,25)
InChIKeyLKORHOLHTAWYPK-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.54
Rot. Bonds7

About 2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide

2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 74912578) has the molecular formula C18H18FN5O4S and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID74912578
Molecular FormulaC18H18FN5O4S
Molecular Weight419.44 g/mol
Exact Mass419.11
IUPAC Name2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCC1=NC(=O)N(C)C(=O)C1CCc1nnc(SCC(=O)Nc2ccccc2F)o1
InChIInChI=1S/C18H18FN5O4S/c1-10-11(16(26)24(2)17(27)20-10)7-8-15-22-23-18(28-15)29-9-14(25)21-13-6-4-3-5-12(13)19/h3-6,11H,7-9H2,1-2H3,(H,21,25)
InChIKeyLKORHOLHTAWYPK-UHFFFAOYSA-N
XLogP2.54
TPSA117.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide with MolForge

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 74925517
2-[[5-[4-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 16761436
5-[[5-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,6-dimethyl-5H-pyrimidine-2,4-dione
CID 74925490
2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 74925529
2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide
CID 74925467
5-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-3,6-dimethyl-5H-pyrimidine-2,4-dione
CID 74925436
N-(2,4-difluorophenyl)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3917964
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide
CID 1147417
2-[[5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
CID 126020030
N-(4-bromo-2-fluorophenyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 134010551
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
CID 126021194
N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502147

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (CID 74912578) is 2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is CC1=NC(=O)N(C)C(=O)C1CCc1nnc(SCC(=O)Nc2ccccc2F)o1.
What is the InChIKey of 2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is LKORHOLHTAWYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O4S/c1-10-11(16(26)24(2)17(27)20-10)7-8-15-22-23-18(28-15)29-9-14(25)21-13-6-4-3-5-12(13)19/h3-6,11H,7-9H2,1-2H3,(H,21,25).
What are the key properties of 2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 419.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 74912578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).