4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol

C19H19N3O5 — CID 5015995

IUPAC4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
SMILESCOc1cc(-c2nc(C=Nc3cccc(C)n3)c(O)o2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O5/c1-11-6-5-7-16(21-11)20-10-13-19(23)27-18(22-13)12-8-14(24-2)17(26-4)15(9-12)25-3/h5-10,23H,1-4H3
InChIKeyGBYSJAQBCCDZDW-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.53
Rot. Bonds6

About 4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol

4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol (PubChem CID 5015995) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
PubChem CID5015995
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
SMILESCOc1cc(-c2nc(C=Nc3cccc(C)n3)c(O)o2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O5/c1-11-6-5-7-16(21-11)20-10-13-19(23)27-18(22-13)12-8-14(24-2)17(26-4)15(9-12)25-3/h5-10,23H,1-4H3
InChIKeyGBYSJAQBCCDZDW-UHFFFAOYSA-N
XLogP3.53
TPSA99.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol (CID 5015995) is 4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol is COc1cc(-c2nc(C=Nc3cccc(C)n3)c(O)o2)cc(OC)c1OC.
What is the InChIKey of 4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
The InChIKey is GBYSJAQBCCDZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-11-6-5-7-16(21-11)20-10-13-19(23)27-18(22-13)12-8-14(24-2)17(26-4)15(9-12)25-3/h5-10,23H,1-4H3.
What are the key properties of 4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol has a molecular weight of 369.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 5015995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).