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

C19H18FN3O3 — CID 137026778

IUPACN-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCc1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C19H18FN3O3/c1-23(12-13-3-2-4-15(20)11-13)18(25)10-9-17-21-19(22-26-17)14-5-7-16(24)8-6-14/h2-8,11,24H,9-10,12H2,1H3
InChIKeyQUUYBTFKMAPWDP-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.17
Rot. Bonds6

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

N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (PubChem CID 137026778) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
PubChem CID137026778
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCc1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C19H18FN3O3/c1-23(12-13-3-2-4-15(20)11-13)18(25)10-9-17-21-19(22-26-17)14-5-7-16(24)8-6-14/h2-8,11,24H,9-10,12H2,1H3
InChIKeyQUUYBTFKMAPWDP-UHFFFAOYSA-N
XLogP3.17
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86982425
N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55509879
N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162
N-[(3,4-difluorophenyl)methyl]-N-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55557943
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198217
methyl 4-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]methyl]benzoate
CID 37415048
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 86822664
3-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 100548168
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 110330721
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-phenylpropanamide
CID 8836361
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18112198
N-methyl-N-(thiophen-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18117389

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (CID 137026778) is N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is CN(Cc1cccc(F)c1)C(=O)CCc1nc(-c2ccc(O)cc2)no1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The InChIKey is QUUYBTFKMAPWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-23(12-13-3-2-4-15(20)11-13)18(25)10-9-17-21-19(22-26-17)14-5-7-16(24)8-6-14/h2-8,11,24H,9-10,12H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide has a molecular weight of 355.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is sourced from PubChem (CID 137026778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).