N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide

C23H19FN2O4 — CID 51070823

IUPACN-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2ccc(F)cc2)Cc2cc(-c3ccco3)on2)c1
InChIInChI=1S/C23H19FN2O4/c1-28-20-5-2-4-17(12-20)23(27)26(14-16-7-9-18(24)10-8-16)15-19-13-22(30-25-19)21-6-3-11-29-21/h2-13H,14-15H2,1H3
InChIKeyJSKWGNVVHYUMBK-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.92
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide

N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide (PubChem CID 51070823) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
PubChem CID51070823
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2ccc(F)cc2)Cc2cc(-c3ccco3)on2)c1
InChIInChI=1S/C23H19FN2O4/c1-28-20-5-2-4-17(12-20)23(27)26(14-16-7-9-18(24)10-8-16)15-19-13-22(30-25-19)21-6-3-11-29-21/h2-13H,14-15H2,1H3
InChIKeyJSKWGNVVHYUMBK-UHFFFAOYSA-N
XLogP4.92
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide with MolForge

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Related Compounds

3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 42822310
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
3-butyl-1-[(4-fluorophenyl)methyl]-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111755
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867057
4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070844
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669
4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 51070492
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 51070477
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143290

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide (CID 51070823) is N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2ccc(F)cc2)Cc2cc(-c3ccco3)on2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide?
The InChIKey is JSKWGNVVHYUMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-28-20-5-2-4-17(12-20)23(27)26(14-16-7-9-18(24)10-8-16)15-19-13-22(30-25-19)21-6-3-11-29-21/h2-13H,14-15H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide?
N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide has a molecular weight of 406.41 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 51070823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).