N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide

C25H24N2O4 — CID 37429508

IUPACN-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1
InChIInChI=1S/C25H24N2O4/c1-18-24(19(2)31-26-18)17-30-22-11-6-10-21(14-22)25(28)27(16-23-12-7-13-29-23)15-20-8-4-3-5-9-20/h3-14H,15-17H2,1-2H3
InChIKeyPEQAHQDKTVIMTB-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.31
Rot. Bonds8

About N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide

N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide (PubChem CID 37429508) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
PubChem CID37429508
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1
InChIInChI=1S/C25H24N2O4/c1-18-24(19(2)31-26-18)17-30-22-11-6-10-21(14-22)25(28)27(16-23-12-7-13-29-23)15-20-8-4-3-5-9-20/h3-14H,15-17H2,1-2H3
InChIKeyPEQAHQDKTVIMTB-UHFFFAOYSA-N
XLogP5.31
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46540368
3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42706159
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 9437481
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2418158
N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 31238590
N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
CID 9168070
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7780341
N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
CID 55593852

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide (CID 37429508) is N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide is Cc1noc(C)c1COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1.
What is the InChIKey of N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is PEQAHQDKTVIMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-18-24(19(2)31-26-18)17-30-22-11-6-10-21(14-22)25(28)27(16-23-12-7-13-29-23)15-20-8-4-3-5-9-20/h3-14H,15-17H2,1-2H3.
What are the key properties of N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide?
N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 416.48 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 37429508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).