1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea

C17H16N4O3 — CID 6463833

IUPAC1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C17H16N4O3/c1-23-14-9-5-8-13(10-14)19-17(22)18-11-15-20-16(21-24-15)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H2,18,19,22)
InChIKeyJCXZORAZVVLXIP-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.07
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea

1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 6463833) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID6463833
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C17H16N4O3/c1-23-14-9-5-8-13(10-14)19-17(22)18-11-15-20-16(21-24-15)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H2,18,19,22)
InChIKeyJCXZORAZVVLXIP-UHFFFAOYSA-N
XLogP3.07
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]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

1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 100746710
1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiourea
CID 100758186
1-(3-methylphenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6461873
1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738197
1-(3-methoxyphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86924588
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxyphenyl)thiourea
CID 100760836
1-(3,5-dimethoxyphenyl)-3-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 42797835
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
CID 171347624
1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792054
1-(3-chlorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6462207
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylurea
CID 8895828

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 6463833) is 1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea is COc1cccc(NC(=O)NCc2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is JCXZORAZVVLXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-14-9-5-8-13(10-14)19-17(22)18-11-15-20-16(21-24-15)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H2,18,19,22).
What are the key properties of 1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea?
1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 324.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 6463833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).