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

C17H17FN4O3 — CID 96531122

IUPACN-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1nnc([C@@H](C)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)o1
InChIInChI=1S/C17H17FN4O3/c1-9(17-22-21-11(3)25-17)19-12-4-5-14(18)15(8-12)20-16(23)13-6-7-24-10(13)2/h4-9,19H,1-3H3,(H,20,23)/t9-/m1/s1
InChIKeyFPXBFIIIVVFXEG-SECBINFHSA-N
MW344.35 g/mol
LogP3.84
Rot. Bonds5

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

N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 96531122) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide
PubChem CID96531122
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1nnc([C@@H](C)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)o1
InChIInChI=1S/C17H17FN4O3/c1-9(17-22-21-11(3)25-17)19-12-4-5-14(18)15(8-12)20-16(23)13-6-7-24-10(13)2/h4-9,19H,1-3H3,(H,20,23)/t9-/m1/s1
InChIKeyFPXBFIIIVVFXEG-SECBINFHSA-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

Analyze N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]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

Related Compounds

N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide
CID 51088761
N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 55913957
N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 55707540
N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46466434
N-[5-[2-(3-chlorophenoxy)propanoylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707775
N-[2-fluoro-5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]phenyl]-2-methylfuran-3-carboxamide
CID 46469741
N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707274
N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46469629
N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 96531126
N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide
CID 62318069
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55723718
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55716212

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide (CID 96531122) is N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide is Cc1nnc([C@@H](C)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)o1.
What is the InChIKey of N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is FPXBFIIIVVFXEG-SECBINFHSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-9(17-22-21-11(3)25-17)19-12-4-5-14(18)15(8-12)20-16(23)13-6-7-24-10(13)2/h4-9,19H,1-3H3,(H,20,23)/t9-/m1/s1.
What are the key properties of N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide?
N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]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-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 96531122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).