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

C18H18N4O4 — CID 100746710

IUPAC1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCOc1cccc(NC(=O)NCc2nc(-c3cccc(OC)c3)no2)c1
InChIInChI=1S/C18H18N4O4/c1-24-14-7-3-5-12(9-14)17-21-16(26-22-17)11-19-18(23)20-13-6-4-8-15(10-13)25-2/h3-10H,11H2,1-2H3,(H2,19,20,23)
InChIKeyIVUUEEVUIGOKTA-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.08
Rot. Bonds6

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

1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea (PubChem CID 100746710) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
PubChem CID100746710
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCOc1cccc(NC(=O)NCc2nc(-c3cccc(OC)c3)no2)c1
InChIInChI=1S/C18H18N4O4/c1-24-14-7-3-5-12(9-14)17-21-16(26-22-17)11-19-18(23)20-13-6-4-8-15(10-13)25-2/h3-10H,11H2,1-2H3,(H2,19,20,23)
InChIKeyIVUUEEVUIGOKTA-UHFFFAOYSA-N
XLogP3.08
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6463833
1-(3-methylphenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6461873
1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiourea
CID 100758186
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxyphenyl)thiourea
CID 100760836
1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100760335
1-(3-chlorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6462207
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-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738197
1-(4-bromo-3-methylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiourea
CID 100760177
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 99999133

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea (CID 100746710) is 1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea is COc1cccc(NC(=O)NCc2nc(-c3cccc(OC)c3)no2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The InChIKey is IVUUEEVUIGOKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-24-14-7-3-5-12(9-14)17-21-16(26-22-17)11-19-18(23)20-13-6-4-8-15(10-13)25-2/h3-10H,11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea has a molecular weight of 354.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea is sourced from PubChem (CID 100746710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).