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

C10H10N4O3 — CID 71521216

IUPAC[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
SMILESCOc1ccc(-c2nnc(NC(N)=O)o2)cc1
InChIInChI=1S/C10H10N4O3/c1-16-7-4-2-6(3-5-7)8-13-14-10(17-8)12-9(11)15/h2-5H,1H3,(H3,11,12,14,15)
InChIKeyXWKNLELWZYVDHL-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.24
Rot. Bonds3

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

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea (PubChem CID 71521216) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
PubChem CID71521216
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
SMILESCOc1ccc(-c2nnc(NC(N)=O)o2)cc1
InChIInChI=1S/C10H10N4O3/c1-16-7-4-2-6(3-5-7)8-13-14-10(17-8)12-9(11)15/h2-5H,1H3,(H3,11,12,14,15)
InChIKeyXWKNLELWZYVDHL-UHFFFAOYSA-N
XLogP1.24
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521325
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
1-(4-tert-butylphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 166963038
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-(4-methoxyphenyl)sulfanylbutanamide
CID 41086523
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 [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea (CID 71521216) is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea is COc1ccc(-c2nnc(NC(N)=O)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The InChIKey is XWKNLELWZYVDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-16-7-4-2-6(3-5-7)8-13-14-10(17-8)12-9(11)15/h2-5H,1H3,(H3,11,12,14,15).
What are the key properties of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea has a molecular weight of 234.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea is sourced from PubChem (CID 71521216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).