3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one

C12H13BrN4O2 — CID 67034379

IUPAC3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one
SMILESCCCC1COC(=O)N1c1ccn2ncc(Br)c2n1
InChIInChI=1S/C12H13BrN4O2/c1-2-3-8-7-19-12(18)17(8)10-4-5-16-11(15-10)9(13)6-14-16/h4-6,8H,2-3,7H2,1H3
InChIKeyVPGKHRHHIJRVSP-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.62
Rot. Bonds3

About 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one

3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one (PubChem CID 67034379) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one
PubChem CID67034379
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one
SMILESCCCC1COC(=O)N1c1ccn2ncc(Br)c2n1
InChIInChI=1S/C12H13BrN4O2/c1-2-3-8-7-19-12(18)17(8)10-4-5-16-11(15-10)9(13)6-14-16/h4-6,8H,2-3,7H2,1H3
InChIKeyVPGKHRHHIJRVSP-UHFFFAOYSA-N
XLogP2.62
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one (CID 67034379) is 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one is CCCC1COC(=O)N1c1ccn2ncc(Br)c2n1.
What is the InChIKey of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one?
The InChIKey is VPGKHRHHIJRVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-2-3-8-7-19-12(18)17(8)10-4-5-16-11(15-10)9(13)6-14-16/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one?
3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one has a molecular weight of 325.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67034379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).