1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea

C8H14N4O2 — CID 106395850

IUPAC1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1ncon1
InChIInChI=1S/C8H14N4O2/c1-2-4-9-8(13)10-5-3-7-11-6-14-12-7/h6H,2-5H2,1H3,(H2,9,10,13)
InChIKeyYFICGEJIXJVUFF-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.32
Rot. Bonds5

About 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea

1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea (PubChem CID 106395850) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
PubChem CID106395850
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1ncon1
InChIInChI=1S/C8H14N4O2/c1-2-4-9-8(13)10-5-3-7-11-6-14-12-7/h6H,2-5H2,1H3,(H2,9,10,13)
InChIKeyYFICGEJIXJVUFF-UHFFFAOYSA-N
XLogP0.32
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 106404733
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
2-hydroxy-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106509755
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106397697
(2S)-3-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106404555
1-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106404307
(2S,3R)-3-hydroxy-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 114184521
2,3-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobut-2-enoic acid
CID 106394755
(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106397686
3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182830
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 106408880

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea (CID 106395850) is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea is CCCNC(=O)NCCc1ncon1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea?
The InChIKey is YFICGEJIXJVUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-4-9-8(13)10-5-3-7-11-6-14-12-7/h6H,2-5H2,1H3,(H2,9,10,13).
What are the key properties of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea?
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea has a molecular weight of 198.23 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea is sourced from PubChem (CID 106395850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).