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

C15H12F2N4O3 — CID 44543370

IUPACN-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESNc1cc(F)cc(F)c1NC(=O)CCc1noc(-c2ccoc2)n1
InChIInChI=1S/C15H12F2N4O3/c16-9-5-10(17)14(11(18)6-9)20-13(22)2-1-12-19-15(24-21-12)8-3-4-23-7-8/h3-7H,1-2,18H2,(H,20,22)
InChIKeyWZYSYWOZLGWKTA-UHFFFAOYSA-N
MW334.28 g/mol
LogP2.76
Rot. Bonds5

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

N-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide (PubChem CID 44543370) has the molecular formula C15H12F2N4O3 and a molecular weight of 334.28 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide
PubChem CID44543370
Molecular FormulaC15H12F2N4O3
Molecular Weight334.28 g/mol
Exact Mass334.09
IUPAC NameN-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESNc1cc(F)cc(F)c1NC(=O)CCc1noc(-c2ccoc2)n1
InChIInChI=1S/C15H12F2N4O3/c16-9-5-10(17)14(11(18)6-9)20-13(22)2-1-12-19-15(24-21-12)8-3-4-23-7-8/h3-7H,1-2,18H2,(H,20,22)
InChIKeyWZYSYWOZLGWKTA-UHFFFAOYSA-N
XLogP2.76
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide (CID 44543370) is N-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide is Nc1cc(F)cc(F)c1NC(=O)CCc1noc(-c2ccoc2)n1.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide?
The InChIKey is WZYSYWOZLGWKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O3/c16-9-5-10(17)14(11(18)6-9)20-13(22)2-1-12-19-15(24-21-12)8-3-4-23-7-8/h3-7H,1-2,18H2,(H,20,22).
What are the key properties of N-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide?
N-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide has a molecular weight of 334.28 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)-3-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 44543370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).