N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H20F2N4O4 — CID 31327852

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1cc(CN(C)C(=O)CCc2nc(-c3ccncc3)no2)ccc1OC(F)F
InChIInChI=1S/C20H20F2N4O4/c1-26(12-13-3-4-15(29-20(21)22)16(11-13)28-2)18(27)6-5-17-24-19(25-30-17)14-7-9-23-10-8-14/h3-4,7-11,20H,5-6,12H2,1-2H3
InChIKeyJLLHYYSOQFSTFV-UHFFFAOYSA-N
MW418.40 g/mol
LogP3.33
Rot. Bonds9

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 31327852) has the molecular formula C20H20F2N4O4 and a molecular weight of 418.40 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID31327852
Molecular FormulaC20H20F2N4O4
Molecular Weight418.40 g/mol
Exact Mass418.15
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1cc(CN(C)C(=O)CCc2nc(-c3ccncc3)no2)ccc1OC(F)F
InChIInChI=1S/C20H20F2N4O4/c1-26(12-13-3-4-15(29-20(21)22)16(11-13)28-2)18(27)6-5-17-24-19(25-30-17)14-7-9-23-10-8-14/h3-4,7-11,20H,5-6,12H2,1-2H3
InChIKeyJLLHYYSOQFSTFV-UHFFFAOYSA-N
XLogP3.33
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51310511
N-methyl-N-[(2-methylphenyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30533862
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46523344
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
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpropanamide
CID 55611874
methyl 4-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]methyl]benzoate
CID 37415048
2-[methyl-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 119358642
2-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912734
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56550163
N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 137026778

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 31327852) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1cc(CN(C)C(=O)CCc2nc(-c3ccncc3)no2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is JLLHYYSOQFSTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4/c1-26(12-13-3-4-15(29-20(21)22)16(11-13)28-2)18(27)6-5-17-24-19(25-30-17)14-7-9-23-10-8-14/h3-4,7-11,20H,5-6,12H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 418.40 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 31327852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).