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

C25H24FN3O4 — CID 46000350

IUPAC2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(CN(Cc2ccc(F)cc2)Cc2nc(C(=O)NCc3ccco3)co2)c1
InChIInChI=1S/C25H24FN3O4/c1-31-21-5-2-4-19(12-21)15-29(14-18-7-9-20(26)10-8-18)16-24-28-23(17-33-24)25(30)27-13-22-6-3-11-32-22/h2-12,17H,13-16H2,1H3,(H,27,30)
InChIKeyMXKKBOZQZROXJT-UHFFFAOYSA-N
MW449.48 g/mol
LogP4.55
Rot. Bonds10

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

2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 46000350) has the molecular formula C25H24FN3O4 and a molecular weight of 449.48 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID46000350
Molecular FormulaC25H24FN3O4
Molecular Weight449.48 g/mol
Exact Mass449.18
IUPAC Name2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(CN(Cc2ccc(F)cc2)Cc2nc(C(=O)NCc3ccco3)co2)c1
InChIInChI=1S/C25H24FN3O4/c1-31-21-5-2-4-19(12-21)15-29(14-18-7-9-20(26)10-8-18)16-24-28-23(17-33-24)25(30)27-13-22-6-3-11-32-22/h2-12,17H,13-16H2,1H3,(H,27,30)
InChIKeyMXKKBOZQZROXJT-UHFFFAOYSA-N
XLogP4.55
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[4-(piperidin-1-ylcarbonyl)-oxazol-2-yl]-benzyl}-2-(4-trifluoromethoxy-phenyl)-acetamide
CID 10311116
2-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415683
1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-furylmethyl)piperidine-4-carboxamide
CID 3242398
N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide
CID 118732129
N-[3-(4-{[(3-methoxybenzoyl)amino]methyl}-5-methyl-1,3-oxazol-2-yl)phenyl]-2-methyl-3-furamide
CID 42189730
2-[(2,3-difluorophenoxy)methyl]-N-(2-methoxybenzyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 42297339
N-methyl-N-(tetrahydrofuran-2-ylmethyl)-2-{[3-(trifluoromethyl)phenoxy]methyl}-1,3-oxazole-4-carboxamide
CID 56708823
N-{1-[(2-{[3-(trifluoromethyl)phenoxy]methyl}-1,3-oxazol-4-yl)carbonyl]pyrrolidin-3-yl}acetamide
CID 56709050
N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 71452938
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 47030215
2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(4-butoxy-3-fluorophenyl)methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 171663884
N-[(Furan-2-YL)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-YL]benzamide
CID 20916587

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 46000350) is 2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is COc1cccc(CN(Cc2ccc(F)cc2)Cc2nc(C(=O)NCc3ccco3)co2)c1.
What is the InChIKey of 2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MXKKBOZQZROXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4/c1-31-21-5-2-4-19(12-21)15-29(14-18-7-9-20(26)10-8-18)16-24-28-23(17-33-24)25(30)27-13-22-6-3-11-32-22/h2-12,17H,13-16H2,1H3,(H,27,30).
What are the key properties of 2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46000350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).