4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one

C11H6ClN3O3 — CID 163275935

IUPAC4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(Oc3ncc(Cl)cn3)cccc2o1
InChIInChI=1S/C11H6ClN3O3/c12-6-4-13-10(14-5-6)17-7-2-1-3-8-9(7)15-11(16)18-8/h1-5H,(H,15,16)
InChIKeyAPVQIVKFOAWRCN-UHFFFAOYSA-N
MW263.64 g/mol
LogP2.36
Rot. Bonds2

About 4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one

4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one (PubChem CID 163275935) has the molecular formula C11H6ClN3O3 and a molecular weight of 263.64 g/mol. Its IUPAC name is 4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one
PubChem CID163275935
Molecular FormulaC11H6ClN3O3
Molecular Weight263.64 g/mol
Exact Mass263.01
IUPAC Name4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(Oc3ncc(Cl)cn3)cccc2o1
InChIInChI=1S/C11H6ClN3O3/c12-6-4-13-10(14-5-6)17-7-2-1-3-8-9(7)15-11(16)18-8/h1-5H,(H,15,16)
InChIKeyAPVQIVKFOAWRCN-UHFFFAOYSA-N
XLogP2.36
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.64
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one?
The IUPAC name of 4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one (CID 163275935) is 4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one is O=c1[nH]c2c(Oc3ncc(Cl)cn3)cccc2o1.
What is the InChIKey of 4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one?
The InChIKey is APVQIVKFOAWRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O3/c12-6-4-13-10(14-5-6)17-7-2-1-3-8-9(7)15-11(16)18-8/h1-5H,(H,15,16).
What are the key properties of 4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one?
4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one has a molecular weight of 263.64 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropyrimidin-2-yl)oxy-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 163275935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).