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

C20H21FN4O4 — CID 17275398

IUPAC1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea
SMILESCCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O4/c1-4-25(20(26)22-15-8-6-14(21)7-9-15)12-18-23-19(24-29-18)13-5-10-16(27-2)17(11-13)28-3/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKeyBFNDHFOGBJSEFL-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.95
Rot. Bonds7

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

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea (PubChem CID 17275398) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea
PubChem CID17275398
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea
SMILESCCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O4/c1-4-25(20(26)22-15-8-6-14(21)7-9-15)12-18-23-19(24-29-18)13-5-10-16(27-2)17(11-13)28-3/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKeyBFNDHFOGBJSEFL-UHFFFAOYSA-N
XLogP3.95
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-methoxybenzamide
CID 6494677
4-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)butanamide
CID 2985774
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 8895902
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-methylbenzamide
CID 6494655
3-(4-fluorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea
CID 17275378
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylfuran-2-carboxamide
CID 6485239
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenoxy)acetamide
CID 6494754
1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea
CID 17275257
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-propan-2-yloxybenzamide
CID 8779231
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylphenyl)-1-prop-2-enylurea
CID 3164461
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
CID 6473072
3-(4-fluorophenyl)-1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6462162

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea (CID 17275398) is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea is CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea?
The InChIKey is BFNDHFOGBJSEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4/c1-4-25(20(26)22-15-8-6-14(21)7-9-15)12-18-23-19(24-29-18)13-5-10-16(27-2)17(11-13)28-3/h5-11H,4,12H2,1-3H3,(H,22,26).
What are the key properties of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea?
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea has a molecular weight of 400.41 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(4-fluorophenyl)urea is sourced from PubChem (CID 17275398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).