2-chloropyrimidine;1,3-oxazole

C7H6ClN3O — CID 86656322

IUPAC2-chloropyrimidine;1,3-oxazole
SMILESClc1ncccn1.c1cocn1
InChIInChI=1S/C4H3ClN2.C3H3NO/c5-4-6-2-1-3-7-4;1-2-5-3-4-1/h1-3H;1-3H
InChIKeyXGHSFAXUYCPARU-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.80
Rot. Bonds

About 2-chloropyrimidine;1,3-oxazole

2-chloropyrimidine;1,3-oxazole (PubChem CID 86656322) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 2-chloropyrimidine;1,3-oxazole.

Molecular Properties

Compound Name2-chloropyrimidine;1,3-oxazole
PubChem CID86656322
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name2-chloropyrimidine;1,3-oxazole
SMILESClc1ncccn1.c1cocn1
InChIInChI=1S/C4H3ClN2.C3H3NO/c5-4-6-2-1-3-7-4;1-2-5-3-4-1/h1-3H;1-3H
InChIKeyXGHSFAXUYCPARU-UHFFFAOYSA-N
XLogP1.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyrimidine;1,3-oxazole?
The IUPAC name of 2-chloropyrimidine;1,3-oxazole (CID 86656322) is 2-chloropyrimidine;1,3-oxazole.
What is the SMILES notation for 2-chloropyrimidine;1,3-oxazole?
The canonical SMILES for 2-chloropyrimidine;1,3-oxazole is Clc1ncccn1.c1cocn1.
What is the InChIKey of 2-chloropyrimidine;1,3-oxazole?
The InChIKey is XGHSFAXUYCPARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2.C3H3NO/c5-4-6-2-1-3-7-4;1-2-5-3-4-1/h1-3H;1-3H.
What are the key properties of 2-chloropyrimidine;1,3-oxazole?
2-chloropyrimidine;1,3-oxazole has a molecular weight of 183.60 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyrimidine;1,3-oxazole is sourced from PubChem (CID 86656322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).