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

C17H17FN4O3 — CID 51088761

IUPACN-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1noc(C(C)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)n1
InChIInChI=1S/C17H17FN4O3/c1-9(17-20-11(3)22-25-17)19-12-4-5-14(18)15(8-12)21-16(23)13-6-7-24-10(13)2/h4-9,19H,1-3H3,(H,21,23)
InChIKeyDDAAQHJPZHSRIN-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.84
Rot. Bonds5

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

N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 51088761) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide
PubChem CID51088761
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1noc(C(C)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)n1
InChIInChI=1S/C17H17FN4O3/c1-9(17-20-11(3)22-25-17)19-12-4-5-14(18)15(8-12)21-16(23)13-6-7-24-10(13)2/h4-9,19H,1-3H3,(H,21,23)
InChIKeyDDAAQHJPZHSRIN-UHFFFAOYSA-N
XLogP3.84
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 96531122
N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 55913957
N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46466434
N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 55707540
N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 96531126
N-[5-[2-(3-chlorophenoxy)propanoylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707775
N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707274
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55716212
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 55707486
N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 47155570
N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46469629
N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 86890295

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide (CID 51088761) is N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide is Cc1noc(C(C)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)n1.
What is the InChIKey of N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is DDAAQHJPZHSRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-9(17-20-11(3)22-25-17)19-12-4-5-14(18)15(8-12)21-16(23)13-6-7-24-10(13)2/h4-9,19H,1-3H3,(H,21,23).
What are the key properties of N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide?
N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 3.84, 5 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-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 51088761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).