2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea

C6H10N4O2 — CID 103639746

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea
SMILESCc1noc(CCNC(N)=O)n1
InChIInChI=1S/C6H10N4O2/c1-4-9-5(12-10-4)2-3-8-6(7)11/h2-3H2,1H3,(H3,7,8,11)
InChIKeyVYMJFOWOSOREIM-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.41
Rot. Bonds3

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea

2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea (PubChem CID 103639746) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea
PubChem CID103639746
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea
SMILESCc1noc(CCNC(N)=O)n1
InChIInChI=1S/C6H10N4O2/c1-4-9-5(12-10-4)2-3-8-6(7)11/h2-3H2,1H3,(H3,7,8,11)
InChIKeyVYMJFOWOSOREIM-UHFFFAOYSA-N
XLogP-0.41
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea (CID 103639746) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea is Cc1noc(CCNC(N)=O)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea?
The InChIKey is VYMJFOWOSOREIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4-9-5(12-10-4)2-3-8-6(7)11/h2-3H2,1H3,(H3,7,8,11).
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea?
2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea has a molecular weight of 170.17 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylurea is sourced from PubChem (CID 103639746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).