7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine

C11H6ClN3O — CID 53213185

IUPAC7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESClc1ncnc2c(-c3ccccc3)noc12
InChIInChI=1S/C11H6ClN3O/c12-11-10-9(13-6-14-11)8(15-16-10)7-4-2-1-3-5-7/h1-6H
InChIKeyVDWJSGPAPMUHNF-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.94
Rot. Bonds1

About 7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine

7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine (PubChem CID 53213185) has the molecular formula C11H6ClN3O and a molecular weight of 231.64 g/mol. Its IUPAC name is 7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine
PubChem CID53213185
Molecular FormulaC11H6ClN3O
Molecular Weight231.64 g/mol
Exact Mass231.02
IUPAC Name7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESClc1ncnc2c(-c3ccccc3)noc12
InChIInChI=1S/C11H6ClN3O/c12-11-10-9(13-6-14-11)8(15-16-10)7-4-2-1-3-5-7/h1-6H
InChIKeyVDWJSGPAPMUHNF-UHFFFAOYSA-N
XLogP2.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine (CID 53213185) is 7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine is Clc1ncnc2c(-c3ccccc3)noc12.
What is the InChIKey of 7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine?
The InChIKey is VDWJSGPAPMUHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O/c12-11-10-9(13-6-14-11)8(15-16-10)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine?
7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine has a molecular weight of 231.64 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine is sourced from PubChem (CID 53213185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).