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

C8H10F2N4O2 — CID 128620218

IUPAC1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea
SMILESCc1noc(NC(=O)NC2(C(F)F)CC2)n1
InChIInChI=1S/C8H10F2N4O2/c1-4-11-7(16-14-4)12-6(15)13-8(2-3-8)5(9)10/h5H,2-3H2,1H3,(H2,11,12,13,14,15)
InChIKeyBDIUIFAEQXRVEN-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.30
Rot. Bonds3

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

1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea (PubChem CID 128620218) has the molecular formula C8H10F2N4O2 and a molecular weight of 232.19 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea
PubChem CID128620218
Molecular FormulaC8H10F2N4O2
Molecular Weight232.19 g/mol
Exact Mass232.08
IUPAC Name1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea
SMILESCc1noc(NC(=O)NC2(C(F)F)CC2)n1
InChIInChI=1S/C8H10F2N4O2/c1-4-11-7(16-14-4)12-6(15)13-8(2-3-8)5(9)10/h5H,2-3H2,1H3,(H2,11,12,13,14,15)
InChIKeyBDIUIFAEQXRVEN-UHFFFAOYSA-N
XLogP1.30
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea?
The IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea (CID 128620218) is 1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea.
What is the SMILES notation for 1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea?
The canonical SMILES for 1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea is Cc1noc(NC(=O)NC2(C(F)F)CC2)n1.
What is the InChIKey of 1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea?
The InChIKey is BDIUIFAEQXRVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O2/c1-4-11-7(16-14-4)12-6(15)13-8(2-3-8)5(9)10/h5H,2-3H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea?
1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea has a molecular weight of 232.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)cyclopropyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea is sourced from PubChem (CID 128620218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).