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

C8H12N4O2 — CID 130941339

IUPAC1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCC(NC(=O)NC1CC1)c1ncon1
InChIInChI=1S/C8H12N4O2/c1-5(7-9-4-14-12-7)10-8(13)11-6-2-3-6/h4-6H,2-3H2,1H3,(H2,10,11,13)
InChIKeyRJANBJBXFWPVEB-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.59
Rot. Bonds3

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

1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 130941339) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea
PubChem CID130941339
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCC(NC(=O)NC1CC1)c1ncon1
InChIInChI=1S/C8H12N4O2/c1-5(7-9-4-14-12-7)10-8(13)11-6-2-3-6/h4-6H,2-3H2,1H3,(H2,10,11,13)
InChIKeyRJANBJBXFWPVEB-UHFFFAOYSA-N
XLogP0.59
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea (CID 130941339) is 1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea is CC(NC(=O)NC1CC1)c1ncon1.
What is the InChIKey of 1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is RJANBJBXFWPVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5(7-9-4-14-12-7)10-8(13)11-6-2-3-6/h4-6H,2-3H2,1H3,(H2,10,11,13).
What are the key properties of 1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea?
1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 196.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 130941339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).