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

C16H18FN3O3 — CID 91791717

IUPACN-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide
SMILESCCN(Cc1noc(C)n1)C(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3/c1-3-20(10-15-18-11(2)23-19-15)16(22)9-8-14(21)12-4-6-13(17)7-5-12/h4-7H,3,8-10H2,1-2H3
InChIKeyNFYXQMDVURXEDK-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.53
Rot. Bonds7

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

N-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide (PubChem CID 91791717) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide
PubChem CID91791717
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC NameN-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide
SMILESCCN(Cc1noc(C)n1)C(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3/c1-3-20(10-15-18-11(2)23-19-15)16(22)9-8-14(21)12-4-6-13(17)7-5-12/h4-7H,3,8-10H2,1-2H3
InChIKeyNFYXQMDVURXEDK-UHFFFAOYSA-N
XLogP2.53
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide?
The IUPAC name of N-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide (CID 91791717) is N-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide.
What is the SMILES notation for N-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide?
The canonical SMILES for N-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide is CCN(Cc1noc(C)n1)C(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide?
The InChIKey is NFYXQMDVURXEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-3-20(10-15-18-11(2)23-19-15)16(22)9-8-14(21)12-4-6-13(17)7-5-12/h4-7H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide?
N-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide has a molecular weight of 319.34 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxobutanamide is sourced from PubChem (CID 91791717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).