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

C8H14N4O2 — CID 103744237

IUPAC1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCCN(C)C(=O)NCCc1ncno1
InChIInChI=1S/C8H14N4O2/c1-3-12(2)8(13)9-5-4-7-10-6-11-14-7/h6H,3-5H2,1-2H3,(H,9,13)
InChIKeyJPQLDRRIGJEFOK-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.27
Rot. Bonds4

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

1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 103744237) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID103744237
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCCN(C)C(=O)NCCc1ncno1
InChIInChI=1S/C8H14N4O2/c1-3-12(2)8(13)9-5-4-7-10-6-11-14-7/h6H,3-5H2,1-2H3,(H,9,13)
InChIKeyJPQLDRRIGJEFOK-UHFFFAOYSA-N
XLogP0.27
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
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-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397241
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-(1,2,4-oxadiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106399678
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399702
4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399868
2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399946

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea (CID 103744237) is 1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea is CCN(C)C(=O)NCCc1ncno1.
What is the InChIKey of 1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is JPQLDRRIGJEFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-12(2)8(13)9-5-4-7-10-6-11-14-7/h6H,3-5H2,1-2H3,(H,9,13).
What are the key properties of 1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 198.23 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 103744237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).