N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide

C25H24FN3O3 — CID 46001077

IUPACN-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(c1ccccc1)N(Cc1ccco1)Cc1nc(C(=O)NCc2ccc(F)cc2)co1
InChIInChI=1S/C25H24FN3O3/c1-18(20-6-3-2-4-7-20)29(15-22-8-5-13-31-22)16-24-28-23(17-32-24)25(30)27-14-19-9-11-21(26)12-10-19/h2-13,17-18H,14-16H2,1H3,(H,27,30)
InChIKeyGZCXGYAZMMOVNQ-UHFFFAOYSA-N
MW433.48 g/mol
LogP5.10
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 46001077) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID46001077
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(c1ccccc1)N(Cc1ccco1)Cc1nc(C(=O)NCc2ccc(F)cc2)co1
InChIInChI=1S/C25H24FN3O3/c1-18(20-6-3-2-4-7-20)29(15-22-8-5-13-31-22)16-24-28-23(17-32-24)25(30)27-14-19-9-11-21(26)12-10-19/h2-13,17-18H,14-16H2,1H3,(H,27,30)
InChIKeyGZCXGYAZMMOVNQ-UHFFFAOYSA-N
XLogP5.10
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173001
2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10309516
2-(2-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415617
2-(3-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415641
2-(4-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415668
2-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415683
N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415782
N-[[4-[4-(3-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415834
1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-furylmethyl)piperidine-4-carboxamide
CID 3242398
N-[[4-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415694
N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 89827460
N-benzyl-N-ethyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 54770265

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide (CID 46001077) is N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide is CC(c1ccccc1)N(Cc1ccco1)Cc1nc(C(=O)NCc2ccc(F)cc2)co1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GZCXGYAZMMOVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-18(20-6-3-2-4-7-20)29(15-22-8-5-13-31-22)16-24-28-23(17-32-24)25(30)27-14-19-9-11-21(26)12-10-19/h2-13,17-18H,14-16H2,1H3,(H,27,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46001077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).