N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide

C26H24FN3O5 — CID 118753949

IUPACN-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3cccc(NC(=O)c4cc(C)oc4C)c3)oc2C)cc1F
InChIInChI=1S/C26H24FN3O5/c1-14-10-20(15(2)34-14)25(32)29-19-7-5-6-18(11-19)26-30-22(16(3)35-26)13-28-24(31)17-8-9-23(33-4)21(27)12-17/h5-12H,13H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyKHPSOYCXUWOIBA-UHFFFAOYSA-N
MW477.49 g/mol
LogP5.19
Rot. Bonds7

About N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide

N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 118753949) has the molecular formula C26H24FN3O5 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID118753949
Molecular FormulaC26H24FN3O5
Molecular Weight477.49 g/mol
Exact Mass477.17
IUPAC NameN-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3cccc(NC(=O)c4cc(C)oc4C)c3)oc2C)cc1F
InChIInChI=1S/C26H24FN3O5/c1-14-10-20(15(2)34-14)25(32)29-19-7-5-6-18(11-19)26-30-22(16(3)35-26)13-28-24(31)17-8-9-23(33-4)21(27)12-17/h5-12H,13H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyKHPSOYCXUWOIBA-UHFFFAOYSA-N
XLogP5.19
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[3-[5-methyl-4-[[[(2R)-2-methylbutanoyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 42324291
N-[[2-[3-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-4-(2-methylpropyl)benzamide
CID 42166903
3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide
CID 146041001
N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 39573373
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42421181
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
2-chloro-N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-difluorobenzamide
CID 39854105
N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 42378532
3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
N-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353120
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 110641133

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide (CID 118753949) is N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide is COc1ccc(C(=O)NCc2nc(-c3cccc(NC(=O)c4cc(C)oc4C)c3)oc2C)cc1F.
What is the InChIKey of N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is KHPSOYCXUWOIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O5/c1-14-10-20(15(2)34-14)25(32)29-19-7-5-6-18(11-19)26-30-22(16(3)35-26)13-28-24(31)17-8-9-23(33-4)21(27)12-17/h5-12H,13H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide?
N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 118753949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).