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

C5H8N4O2 — CID 103743946

IUPAC2-(1,2,4-oxadiazol-5-yl)ethylurea
SMILESNC(=O)NCCc1ncno1
InChIInChI=1S/C5H8N4O2/c6-5(10)7-2-1-4-8-3-9-11-4/h3H,1-2H2,(H3,6,7,10)
InChIKeyQJIHKSQUTZQFJH-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.72
Rot. Bonds3

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

2-(1,2,4-oxadiazol-5-yl)ethylurea (PubChem CID 103743946) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)ethylurea.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)ethylurea
PubChem CID103743946
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-(1,2,4-oxadiazol-5-yl)ethylurea
SMILESNC(=O)NCCc1ncno1
InChIInChI=1S/C5H8N4O2/c6-5(10)7-2-1-4-8-3-9-11-4/h3H,1-2H2,(H3,6,7,10)
InChIKeyQJIHKSQUTZQFJH-UHFFFAOYSA-N
XLogP-0.72
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
5-(2-Aminoethyl)-1,2,4-oxadiazol-3-amine
CID 54595504
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione
CID 91248085
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 103744185
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106399666
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399702

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-yl)ethylurea?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)ethylurea (CID 103743946) is 2-(1,2,4-oxadiazol-5-yl)ethylurea.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)ethylurea?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)ethylurea is NC(=O)NCCc1ncno1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)ethylurea?
The InChIKey is QJIHKSQUTZQFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-5(10)7-2-1-4-8-3-9-11-4/h3H,1-2H2,(H3,6,7,10).
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)ethylurea?
2-(1,2,4-oxadiazol-5-yl)ethylurea has a molecular weight of 156.15 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)ethylurea is sourced from PubChem (CID 103743946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).