2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C16H15FN4O2S — CID 91632233

IUPAC2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCn1cccc1-c1noc(CNC(=O)CSc2ccc(F)cc2)n1
InChIInChI=1S/C16H15FN4O2S/c1-21-8-2-3-13(21)16-19-15(23-20-16)9-18-14(22)10-24-12-6-4-11(17)5-7-12/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyMDHLNGDZBQWMPL-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.62
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 91632233) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID91632233
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCn1cccc1-c1noc(CNC(=O)CSc2ccc(F)cc2)n1
InChIInChI=1S/C16H15FN4O2S/c1-21-8-2-3-13(21)16-19-15(23-20-16)9-18-14(22)10-24-12-6-4-11(17)5-7-12/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyMDHLNGDZBQWMPL-UHFFFAOYSA-N
XLogP2.62
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 91811891
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 99999133
N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 91632300
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 50874874
N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 122245433
3-(1,3-benzodioxol-5-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 91632242
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 99999137
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562554
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)butanamide
CID 110313940
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide
CID 94975471

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 91632233) is 2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is Cn1cccc1-c1noc(CNC(=O)CSc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is MDHLNGDZBQWMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-21-8-2-3-13(21)16-19-15(23-20-16)9-18-14(22)10-24-12-6-4-11(17)5-7-12/h2-8H,9-10H2,1H3,(H,18,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 91632233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).