3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole

C14H11ClN2O2 — CID 25268224

IUPAC3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole
SMILESCC1(c2ccccn2)ON=C(c2cccc(Cl)c2)O1
InChIInChI=1S/C14H11ClN2O2/c1-14(12-7-2-3-8-16-12)18-13(17-19-14)10-5-4-6-11(15)9-10/h2-9H,1H3
InChIKeyUMYVLVMJGAJBBY-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.32
Rot. Bonds2

About 3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole

3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole (PubChem CID 25268224) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole
PubChem CID25268224
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole
SMILESCC1(c2ccccn2)ON=C(c2cccc(Cl)c2)O1
InChIInChI=1S/C14H11ClN2O2/c1-14(12-7-2-3-8-16-12)18-13(17-19-14)10-5-4-6-11(15)9-10/h2-9H,1H3
InChIKeyUMYVLVMJGAJBBY-UHFFFAOYSA-N
XLogP3.32
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole?
The IUPAC name of 3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole (CID 25268224) is 3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole is CC1(c2ccccn2)ON=C(c2cccc(Cl)c2)O1.
What is the InChIKey of 3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole?
The InChIKey is UMYVLVMJGAJBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-14(12-7-2-3-8-16-12)18-13(17-19-14)10-5-4-6-11(15)9-10/h2-9H,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole?
3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole has a molecular weight of 274.71 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole is sourced from PubChem (CID 25268224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).