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

C8H12N4O2 — CID 116658027

IUPAC1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)NC2CCC2)o1
InChIInChI=1S/C8H12N4O2/c1-5-11-12-8(14-5)10-7(13)9-6-3-2-4-6/h6H,2-4H2,1H3,(H2,9,10,12,13)
InChIKeyCVMVPGWLVAGKGR-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.05
Rot. Bonds2

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

1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea (PubChem CID 116658027) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea
PubChem CID116658027
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)NC2CCC2)o1
InChIInChI=1S/C8H12N4O2/c1-5-11-12-8(14-5)10-7(13)9-6-3-2-4-6/h6H,2-4H2,1H3,(H2,9,10,12,13)
InChIKeyCVMVPGWLVAGKGR-UHFFFAOYSA-N
XLogP1.05
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea?
The IUPAC name of 1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea (CID 116658027) is 1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea?
The canonical SMILES for 1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea is Cc1nnc(NC(=O)NC2CCC2)o1.
What is the InChIKey of 1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea?
The InChIKey is CVMVPGWLVAGKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-11-12-8(14-5)10-7(13)9-6-3-2-4-6/h6H,2-4H2,1H3,(H2,9,10,12,13).
What are the key properties of 1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea?
1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea has a molecular weight of 196.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea is sourced from PubChem (CID 116658027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).