N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide

C14H11FN4O4 — CID 4192217

IUPACN-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1nnc(CN2C(=O)CCC2=O)o1)c1ccccc1F
InChIInChI=1S/C14H11FN4O4/c15-9-4-2-1-3-8(9)13(22)16-14-18-17-10(23-14)7-19-11(20)5-6-12(19)21/h1-4H,5-7H2,(H,16,18,22)
InChIKeyHKACCTCIDGDMFR-UHFFFAOYSA-N
MW318.26 g/mol
LogP1.11
Rot. Bonds4

About N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide

N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide (PubChem CID 4192217) has the molecular formula C14H11FN4O4 and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
PubChem CID4192217
Molecular FormulaC14H11FN4O4
Molecular Weight318.26 g/mol
Exact Mass318.08
IUPAC NameN-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1nnc(CN2C(=O)CCC2=O)o1)c1ccccc1F
InChIInChI=1S/C14H11FN4O4/c15-9-4-2-1-3-8(9)13(22)16-14-18-17-10(23-14)7-19-11(20)5-6-12(19)21/h1-4H,5-7H2,(H,16,18,22)
InChIKeyHKACCTCIDGDMFR-UHFFFAOYSA-N
XLogP1.11
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide (CID 4192217) is N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide is O=C(Nc1nnc(CN2C(=O)CCC2=O)o1)c1ccccc1F.
What is the InChIKey of N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide?
The InChIKey is HKACCTCIDGDMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O4/c15-9-4-2-1-3-8(9)13(22)16-14-18-17-10(23-14)7-19-11(20)5-6-12(19)21/h1-4H,5-7H2,(H,16,18,22).
What are the key properties of N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide?
N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide has a molecular weight of 318.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 4192217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).