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

C19H19FN2O3 — CID 42823212

IUPACN-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1ccc(F)cc1)Cc1cc(-c2ccco2)on1
InChIInChI=1S/C19H19FN2O3/c1-13(2)19(23)22(11-14-5-7-15(20)8-6-14)12-16-10-18(25-21-16)17-4-3-9-24-17/h3-10,13H,11-12H2,1-2H3
InChIKeyUPGVVVFIBOWGKB-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.26
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide (PubChem CID 42823212) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
PubChem CID42823212
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1ccc(F)cc1)Cc1cc(-c2ccco2)on1
InChIInChI=1S/C19H19FN2O3/c1-13(2)19(23)22(11-14-5-7-15(20)8-6-14)12-16-10-18(25-21-16)17-4-3-9-24-17/h3-10,13H,11-12H2,1-2H3
InChIKeyUPGVVVFIBOWGKB-UHFFFAOYSA-N
XLogP4.26
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-Dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 3463564
[5-(2-Furanyl)-3-isoxazolyl]-(4-methyl-1-piperidinyl)methanone
CID 4609473
N-(3-acetylphenyl)-5-(2-furyl)-3-isoxazolecarboxamide
CID 17253055
5-(2-furyl)-N-isobutylisoxazole-3-carboxamide
CID 3236696
N-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3238209
4-{[5-(2-Furyl)isoxazol-3-yl]carbonyl}morpholine
CID 3239637
5-(furan-2-yl)-N-propyl-1,2-oxazole-3-carboxamide
CID 3240242
N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3241359
N-(3,4-dimethylphenyl)-5-(2-furanyl)-3-isoxazolecarboxamide
CID 3244522
5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 3245765
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 6619139
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-6-(2-furyl)-3-isobutyl-piperazin-2-one
CID 68158489

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide (CID 42823212) is N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide is CC(C)C(=O)N(Cc1ccc(F)cc1)Cc1cc(-c2ccco2)on1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide?
The InChIKey is UPGVVVFIBOWGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-13(2)19(23)22(11-14-5-7-15(20)8-6-14)12-16-10-18(25-21-16)17-4-3-9-24-17/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide?
N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide has a molecular weight of 342.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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]-2-methylpropanamide is sourced from PubChem (CID 42823212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).