N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide

C15H10F2N4O5 — CID 44543229

IUPACN-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESO=C(CCc1noc(-c2ccoc2)n1)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10F2N4O5/c16-9-5-10(17)14(11(6-9)21(23)24)19-13(22)2-1-12-18-15(26-20-12)8-3-4-25-7-8/h3-7H,1-2H2,(H,19,22)
InChIKeyPJNBPJLJEPKIRK-UHFFFAOYSA-N
MW364.26 g/mol
LogP3.09
Rot. Bonds6

About N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide

N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide (PubChem CID 44543229) has the molecular formula C15H10F2N4O5 and a molecular weight of 364.26 g/mol. Its IUPAC name is N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide
PubChem CID44543229
Molecular FormulaC15H10F2N4O5
Molecular Weight364.26 g/mol
Exact Mass364.06
IUPAC NameN-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESO=C(CCc1noc(-c2ccoc2)n1)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10F2N4O5/c16-9-5-10(17)14(11(6-9)21(23)24)19-13(22)2-1-12-18-15(26-20-12)8-3-4-25-7-8/h3-7H,1-2H2,(H,19,22)
InChIKeyPJNBPJLJEPKIRK-UHFFFAOYSA-N
XLogP3.09
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide?
The IUPAC name of N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide (CID 44543229) is N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide.
What is the SMILES notation for N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide?
The canonical SMILES for N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide is O=C(CCc1noc(-c2ccoc2)n1)Nc1c(F)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide?
The InChIKey is PJNBPJLJEPKIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O5/c16-9-5-10(17)14(11(6-9)21(23)24)19-13(22)2-1-12-18-15(26-20-12)8-3-4-25-7-8/h3-7H,1-2H2,(H,19,22).
What are the key properties of N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide?
N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide has a molecular weight of 364.26 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-6-nitrophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 44543229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).