N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide

C19H21FN4O3 — CID 51121978

IUPACN-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide
SMILESCCCc1noc(C(C)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)n1
InChIInChI=1S/C19H21FN4O3/c1-4-5-17-23-19(27-24-17)11(2)21-13-6-7-15(20)16(10-13)22-18(25)14-8-9-26-12(14)3/h6-11,21H,4-5H2,1-3H3,(H,22,25)
InChIKeyKIQZZVSSEBCOCK-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.49
Rot. Bonds7

About N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide

N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 51121978) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide
PubChem CID51121978
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide
SMILESCCCc1noc(C(C)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)n1
InChIInChI=1S/C19H21FN4O3/c1-4-5-17-23-19(27-24-17)11(2)21-13-6-7-15(20)16(10-13)22-18(25)14-8-9-26-12(14)3/h6-11,21H,4-5H2,1-3H3,(H,22,25)
InChIKeyKIQZZVSSEBCOCK-UHFFFAOYSA-N
XLogP4.49
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide (CID 51121978) is N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide is CCCc1noc(C(C)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)n1.
What is the InChIKey of N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is KIQZZVSSEBCOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-4-5-17-23-19(27-24-17)11(2)21-13-6-7-15(20)16(10-13)22-18(25)14-8-9-26-12(14)3/h6-11,21H,4-5H2,1-3H3,(H,22,25).
What are the key properties of N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide?
N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 51121978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).