4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine

C5HCl2N3O — CID 53393411

IUPAC4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine
SMILESClc1nc(Cl)c2cnoc2n1
InChIInChI=1S/C5HCl2N3O/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H
InChIKeyCVFZEUAWGRBDRV-UHFFFAOYSA-N
MW189.99 g/mol
LogP1.92
Rot. Bonds

About 4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine

4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 53393411) has the molecular formula C5HCl2N3O and a molecular weight of 189.99 g/mol. Its IUPAC name is 4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID53393411
Molecular FormulaC5HCl2N3O
Molecular Weight189.99 g/mol
Exact Mass188.95
IUPAC Name4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine
SMILESClc1nc(Cl)c2cnoc2n1
InChIInChI=1S/C5HCl2N3O/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H
InChIKeyCVFZEUAWGRBDRV-UHFFFAOYSA-N
XLogP1.92
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.99
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine (CID 53393411) is 4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine is Clc1nc(Cl)c2cnoc2n1.
What is the InChIKey of 4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is CVFZEUAWGRBDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2N3O/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H.
What are the key properties of 4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine?
4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 189.99 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 53393411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).