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

C19H13FN4O4 — CID 110318991

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C19H13FN4O4/c20-14-8-4-3-7-13(14)17-23-22-16(28-17)9-21-15(25)10-24-18(26)11-5-1-2-6-12(11)19(24)27/h1-8H,9-10H2,(H,21,25)
InChIKeyPAMTVUCBAPHQJC-UHFFFAOYSA-N
MW380.34 g/mol
LogP1.79
Rot. Bonds5

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

2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 110318991) has the molecular formula C19H13FN4O4 and a molecular weight of 380.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
PubChem CID110318991
Molecular FormulaC19H13FN4O4
Molecular Weight380.34 g/mol
Exact Mass380.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C19H13FN4O4/c20-14-8-4-3-7-13(14)17-23-22-16(28-17)9-21-15(25)10-24-18(26)11-5-1-2-6-12(11)19(24)27/h1-8H,9-10H2,(H,21,25)
InChIKeyPAMTVUCBAPHQJC-UHFFFAOYSA-N
XLogP1.79
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320126
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110318988
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]adamantane-1-carboxamide
CID 110319025
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110408532
4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110318736
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110320957
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113201993
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide
CID 110319707
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
CID 110333794
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7577904

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 110318991) is 2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCc1nnc(-c2ccccc2F)o1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The InChIKey is PAMTVUCBAPHQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O4/c20-14-8-4-3-7-13(14)17-23-22-16(28-17)9-21-15(25)10-24-18(26)11-5-1-2-6-12(11)19(24)27/h1-8H,9-10H2,(H,21,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 380.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 110318991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).