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

C10H11N5O3 — CID 71521325

IUPAC1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
SMILESCOc1ccc(-c2nnc(NC(=O)NN)o2)cc1
InChIInChI=1S/C10H11N5O3/c1-17-7-4-2-6(3-5-7)8-14-15-10(18-8)12-9(16)13-11/h2-5H,11H2,1H3,(H2,12,13,15,16)
InChIKeyVJUQVNGXFOOAEF-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.74
Rot. Bonds3

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

1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea (PubChem CID 71521325) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea.

Molecular Properties

Compound Name1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
PubChem CID71521325
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
SMILESCOc1ccc(-c2nnc(NC(=O)NN)o2)cc1
InChIInChI=1S/C10H11N5O3/c1-17-7-4-2-6(3-5-7)8-14-15-10(18-8)12-9(16)13-11/h2-5H,11H2,1H3,(H2,12,13,15,16)
InChIKeyVJUQVNGXFOOAEF-UHFFFAOYSA-N
XLogP0.74
TPSA115.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
1-(4-tert-butylphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 166963038
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086523
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide
CID 155302345
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 5111728
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide
CID 3550447
2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972505
2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972336
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 7846670
ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate
CID 45013153
[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 144750250

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The IUPAC name of 1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea (CID 71521325) is 1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea.
What is the SMILES notation for 1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The canonical SMILES for 1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea is COc1ccc(-c2nnc(NC(=O)NN)o2)cc1.
What is the InChIKey of 1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The InChIKey is VJUQVNGXFOOAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-17-7-4-2-6(3-5-7)8-14-15-10(18-8)12-9(16)13-11/h2-5H,11H2,1H3,(H2,12,13,15,16).
What are the key properties of 1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea has a molecular weight of 249.23 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea is sourced from PubChem (CID 71521325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).