2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine

C13H12ClN3O — CID 155128115

IUPAC2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine
SMILESClc1cc(N2OCCC2c2ccccc2)ncn1
InChIInChI=1S/C13H12ClN3O/c14-12-8-13(16-9-15-12)17-11(6-7-18-17)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2
InChIKeyDHXNLTRTUFKXFL-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.01
Rot. Bonds2

About 2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine

2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine (PubChem CID 155128115) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine
PubChem CID155128115
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine
SMILESClc1cc(N2OCCC2c2ccccc2)ncn1
InChIInChI=1S/C13H12ClN3O/c14-12-8-13(16-9-15-12)17-11(6-7-18-17)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2
InChIKeyDHXNLTRTUFKXFL-UHFFFAOYSA-N
XLogP3.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine (CID 155128115) is 2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine is Clc1cc(N2OCCC2c2ccccc2)ncn1.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine?
The InChIKey is DHXNLTRTUFKXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-12-8-13(16-9-15-12)17-11(6-7-18-17)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2.
What are the key properties of 2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine?
2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine has a molecular weight of 261.71 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 155128115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).