3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole

C11H17BrN2O — CID 130673415

IUPAC3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole
SMILESCC(C)C1CCCN1Cc1cc(Br)no1
InChIInChI=1S/C11H17BrN2O/c1-8(2)10-4-3-5-14(10)7-9-6-11(12)13-15-9/h6,8,10H,3-5,7H2,1-2H3
InChIKeyNSDAASKKRKXHDO-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.06
Rot. Bonds3

About 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole

3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole (PubChem CID 130673415) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole
PubChem CID130673415
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole
SMILESCC(C)C1CCCN1Cc1cc(Br)no1
InChIInChI=1S/C11H17BrN2O/c1-8(2)10-4-3-5-14(10)7-9-6-11(12)13-15-9/h6,8,10H,3-5,7H2,1-2H3
InChIKeyNSDAASKKRKXHDO-UHFFFAOYSA-N
XLogP3.06
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole (CID 130673415) is 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole is CC(C)C1CCCN1Cc1cc(Br)no1.
What is the InChIKey of 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole?
The InChIKey is NSDAASKKRKXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(2)10-4-3-5-14(10)7-9-6-11(12)13-15-9/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole?
3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole has a molecular weight of 273.17 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 130673415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).