4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole

C16H15NO4 — CID 170556515

IUPAC4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole
SMILESCOc1cc(-c2cccc3oncc23)cc(OC)c1OC
InChIInChI=1S/C16H15NO4/c1-18-14-7-10(8-15(19-2)16(14)20-3)11-5-4-6-13-12(11)9-17-21-13/h4-9H,1-3H3
InChIKeyUVLXAURDPUXCCR-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.52
Rot. Bonds4

About 4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole

4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole (PubChem CID 170556515) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole
PubChem CID170556515
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole
SMILESCOc1cc(-c2cccc3oncc23)cc(OC)c1OC
InChIInChI=1S/C16H15NO4/c1-18-14-7-10(8-15(19-2)16(14)20-3)11-5-4-6-13-12(11)9-17-21-13/h4-9H,1-3H3
InChIKeyUVLXAURDPUXCCR-UHFFFAOYSA-N
XLogP3.52
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole?
The IUPAC name of 4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole (CID 170556515) is 4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole?
The canonical SMILES for 4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole is COc1cc(-c2cccc3oncc23)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole?
The InChIKey is UVLXAURDPUXCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-18-14-7-10(8-15(19-2)16(14)20-3)11-5-4-6-13-12(11)9-17-21-13/h4-9H,1-3H3.
What are the key properties of 4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole?
4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole has a molecular weight of 285.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenyl)-1,2-benzoxazole is sourced from PubChem (CID 170556515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).