3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole

C16H14ClNO4 — CID 24768274

IUPAC3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole
SMILESCOc1ccc2c(-c3cc(Cl)c(OC)cc3OC)noc2c1
InChIInChI=1S/C16H14ClNO4/c1-19-9-4-5-10-14(6-9)22-18-16(10)11-7-12(17)15(21-3)8-13(11)20-2/h4-8H,1-3H3
InChIKeyVCXYDISNQHVMIX-UHFFFAOYSA-N
MW319.74 g/mol
LogP4.17
Rot. Bonds4

About 3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole

3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole (PubChem CID 24768274) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is 3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole.

Molecular Properties

Compound Name3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole
PubChem CID24768274
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole
SMILESCOc1ccc2c(-c3cc(Cl)c(OC)cc3OC)noc2c1
InChIInChI=1S/C16H14ClNO4/c1-19-9-4-5-10-14(6-9)22-18-16(10)11-7-12(17)15(21-3)8-13(11)20-2/h4-8H,1-3H3
InChIKeyVCXYDISNQHVMIX-UHFFFAOYSA-N
XLogP4.17
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole?
The IUPAC name of 3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole (CID 24768274) is 3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole.
What is the SMILES notation for 3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole?
The canonical SMILES for 3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole is COc1ccc2c(-c3cc(Cl)c(OC)cc3OC)noc2c1.
What is the InChIKey of 3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole?
The InChIKey is VCXYDISNQHVMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-19-9-4-5-10-14(6-9)22-18-16(10)11-7-12(17)15(21-3)8-13(11)20-2/h4-8H,1-3H3.
What are the key properties of 3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole?
3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole has a molecular weight of 319.74 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-benzoxazole is sourced from PubChem (CID 24768274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).