1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea

C11H12N4O2 — CID 103670811

IUPAC1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
SMILESO=C(NCc1ccccc1)NCc1ncon1
InChIInChI=1S/C11H12N4O2/c16-11(13-7-10-14-8-17-15-10)12-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,13,16)
InChIKeyKQJSRHHOONZOCC-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.07
Rot. Bonds4

About 1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea

1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea (PubChem CID 103670811) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
PubChem CID103670811
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
SMILESO=C(NCc1ccccc1)NCc1ncon1
InChIInChI=1S/C11H12N4O2/c16-11(13-7-10-14-8-17-15-10)12-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,13,16)
InChIKeyKQJSRHHOONZOCC-UHFFFAOYSA-N
XLogP1.07
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106403233
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenylacetamide
CID 106397092
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106401316
2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid
CID 106403554
3-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 106403568
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
N-(1,2,4-oxadiazol-3-ylmethyl)-4-phenylpiperidine-4-carboxamide
CID 106396970
2,3-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 106401317
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine
CID 106392234
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide
CID 106399276
1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea
CID 131227713

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea (CID 103670811) is 1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea is O=C(NCc1ccccc1)NCc1ncon1.
What is the InChIKey of 1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea?
The InChIKey is KQJSRHHOONZOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-11(13-7-10-14-8-17-15-10)12-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,13,16).
What are the key properties of 1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea?
1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea has a molecular weight of 232.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea is sourced from PubChem (CID 103670811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).