5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine

C12H17BrN2O — CID 167091870

IUPAC5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine
SMILESCC(C)C1NOC(c2cccc(Br)c2)N1C
InChIInChI=1S/C12H17BrN2O/c1-8(2)11-14-16-12(15(11)3)9-5-4-6-10(13)7-9/h4-8,11-12,14H,1-3H3
InChIKeyNLQMVIMFCUZKGB-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.90
Rot. Bonds2

About 5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine

5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine (PubChem CID 167091870) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine.

Molecular Properties

Compound Name5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine
PubChem CID167091870
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine
SMILESCC(C)C1NOC(c2cccc(Br)c2)N1C
InChIInChI=1S/C12H17BrN2O/c1-8(2)11-14-16-12(15(11)3)9-5-4-6-10(13)7-9/h4-8,11-12,14H,1-3H3
InChIKeyNLQMVIMFCUZKGB-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine?
The IUPAC name of 5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine (CID 167091870) is 5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine.
What is the SMILES notation for 5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine?
The canonical SMILES for 5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine is CC(C)C1NOC(c2cccc(Br)c2)N1C.
What is the InChIKey of 5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine?
The InChIKey is NLQMVIMFCUZKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8(2)11-14-16-12(15(11)3)9-5-4-6-10(13)7-9/h4-8,11-12,14H,1-3H3.
What are the key properties of 5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine?
5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine has a molecular weight of 285.19 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-4-methyl-3-propan-2-yl-1,2,4-oxadiazolidine is sourced from PubChem (CID 167091870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).