4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide

C21H23FN4O3 — CID 47087997

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide
SMILESCOc1c(C)cnc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1C
InChIInChI=1S/C21H23FN4O3/c1-13-11-23-17(14(2)20(13)28-3)12-24-18(27)5-4-6-19-25-21(26-29-19)15-7-9-16(22)10-8-15/h7-11H,4-6,12H2,1-3H3,(H,24,27)
InChIKeyUYFIOEYKMFXECB-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.54
Rot. Bonds8

About 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide (PubChem CID 47087997) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide
PubChem CID47087997
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide
SMILESCOc1c(C)cnc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1C
InChIInChI=1S/C21H23FN4O3/c1-13-11-23-17(14(2)20(13)28-3)12-24-18(27)5-4-6-19-25-21(26-29-19)15-7-9-16(22)10-8-15/h7-11H,4-6,12H2,1-3H3,(H,24,27)
InChIKeyUYFIOEYKMFXECB-UHFFFAOYSA-N
XLogP3.54
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide with MolForge

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Related Compounds

methyl 4-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoate
CID 39704791
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)butanamide
CID 78874390
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
N-(2-amino-2-methylpropyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119628613
N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55848686
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]butanamide
CID 55713460
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 110632193
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
CID 46453199
N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55973374
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 46450541
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
CID 110293525
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide (CID 47087997) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide is COc1c(C)cnc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1C.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide?
The InChIKey is UYFIOEYKMFXECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-13-11-23-17(14(2)20(13)28-3)12-24-18(27)5-4-6-19-25-21(26-29-19)15-7-9-16(22)10-8-15/h7-11H,4-6,12H2,1-3H3,(H,24,27).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide has a molecular weight of 398.44 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide is sourced from PubChem (CID 47087997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).