1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea

C13H15BrN4O2 — CID 71918965

IUPAC1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea
SMILESCCNC(=O)NC(C)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C13H15BrN4O2/c1-3-15-13(19)16-8(2)12-17-11(18-20-12)9-4-6-10(14)7-5-9/h4-8H,3H2,1-2H3,(H2,15,16,19)
InChIKeyLUAFYPDLRSBZGN-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.88
Rot. Bonds4

About 1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea

1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea (PubChem CID 71918965) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea
PubChem CID71918965
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea
SMILESCCNC(=O)NC(C)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C13H15BrN4O2/c1-3-15-13(19)16-8(2)12-17-11(18-20-12)9-4-6-10(14)7-5-9/h4-8H,3H2,1-2H3,(H2,15,16,19)
InChIKeyLUAFYPDLRSBZGN-UHFFFAOYSA-N
XLogP2.88
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea 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-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea?
The IUPAC name of 1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea (CID 71918965) is 1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea.
What is the SMILES notation for 1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea?
The canonical SMILES for 1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea is CCNC(=O)NC(C)c1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of 1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea?
The InChIKey is LUAFYPDLRSBZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-3-15-13(19)16-8(2)12-17-11(18-20-12)9-4-6-10(14)7-5-9/h4-8H,3H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea?
1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea has a molecular weight of 339.19 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethylurea is sourced from PubChem (CID 71918965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).