2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide

C25H28N4O5 — CID 118754272

IUPAC2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(-c2nc(CNC(=O)CCN3CCCCC3=O)c(C)o2)c1
InChIInChI=1S/C25H28N4O5/c1-16-20(10-13-33-16)24(32)27-19-7-5-6-18(14-19)25-28-21(17(2)34-25)15-26-22(30)9-12-29-11-4-3-8-23(29)31/h5-7,10,13-14H,3-4,8-9,11-12,15H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyFETPQEWGQCZKPW-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.82
Rot. Bonds8

About 2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide

2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide (PubChem CID 118754272) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
PubChem CID118754272
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(-c2nc(CNC(=O)CCN3CCCCC3=O)c(C)o2)c1
InChIInChI=1S/C25H28N4O5/c1-16-20(10-13-33-16)24(32)27-19-7-5-6-18(14-19)25-28-21(17(2)34-25)15-26-22(30)9-12-29-11-4-3-8-23(29)31/h5-7,10,13-14H,3-4,8-9,11-12,15H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyFETPQEWGQCZKPW-UHFFFAOYSA-N
XLogP3.82
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 42398179
2,5-dimethyl-N-[3-[5-methyl-4-[[[(2R)-2-methylbutanoyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 42324291
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 17359293
N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42247588
N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
CID 118754253
5-methyl-N-[3-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
CID 26280392
1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 118757011
2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide
CID 86823154
N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide
CID 45214373
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42421181
N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78865625
N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 118753949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide (CID 118754272) is 2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide is Cc1occc1C(=O)Nc1cccc(-c2nc(CNC(=O)CCN3CCCCC3=O)c(C)o2)c1.
What is the InChIKey of 2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide?
The InChIKey is FETPQEWGQCZKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-16-20(10-13-33-16)24(32)27-19-7-5-6-18(14-19)25-28-21(17(2)34-25)15-26-22(30)9-12-29-11-4-3-8-23(29)31/h5-7,10,13-14H,3-4,8-9,11-12,15H2,1-2H3,(H,26,30)(H,27,32).
What are the key properties of 2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide?
2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 118754272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).