3-chloro-[1,2]oxazolo[4,3-d]pyrimidine

C5H2ClN3O — CID 70024939

IUPAC3-chloro-[1,2]oxazolo[4,3-d]pyrimidine
SMILESClc1onc2cncnc12
InChIInChI=1S/C5H2ClN3O/c6-5-4-3(9-10-5)1-7-2-8-4/h1-2H
InChIKeyREKNOIHFRSTULF-UHFFFAOYSA-N
MW155.54 g/mol
LogP1.27
Rot. Bonds

About 3-chloro-[1,2]oxazolo[4,3-d]pyrimidine

3-chloro-[1,2]oxazolo[4,3-d]pyrimidine (PubChem CID 70024939) has the molecular formula C5H2ClN3O and a molecular weight of 155.54 g/mol. Its IUPAC name is 3-chloro-[1,2]oxazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name3-chloro-[1,2]oxazolo[4,3-d]pyrimidine
PubChem CID70024939
Molecular FormulaC5H2ClN3O
Molecular Weight155.54 g/mol
Exact Mass154.99
IUPAC Name3-chloro-[1,2]oxazolo[4,3-d]pyrimidine
SMILESClc1onc2cncnc12
InChIInChI=1S/C5H2ClN3O/c6-5-4-3(9-10-5)1-7-2-8-4/h1-2H
InChIKeyREKNOIHFRSTULF-UHFFFAOYSA-N
XLogP1.27
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.54
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-[1,2]oxazolo[4,3-d]pyrimidine?
The IUPAC name of 3-chloro-[1,2]oxazolo[4,3-d]pyrimidine (CID 70024939) is 3-chloro-[1,2]oxazolo[4,3-d]pyrimidine.
What is the SMILES notation for 3-chloro-[1,2]oxazolo[4,3-d]pyrimidine?
The canonical SMILES for 3-chloro-[1,2]oxazolo[4,3-d]pyrimidine is Clc1onc2cncnc12.
What is the InChIKey of 3-chloro-[1,2]oxazolo[4,3-d]pyrimidine?
The InChIKey is REKNOIHFRSTULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN3O/c6-5-4-3(9-10-5)1-7-2-8-4/h1-2H.
What are the key properties of 3-chloro-[1,2]oxazolo[4,3-d]pyrimidine?
3-chloro-[1,2]oxazolo[4,3-d]pyrimidine has a molecular weight of 155.54 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-[1,2]oxazolo[4,3-d]pyrimidine is sourced from PubChem (CID 70024939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).