5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole

C16H17N3O3S — CID 122148571

IUPAC5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole
SMILESCOCCOc1ccc(-c2nc(-c3oc(C)nc3C)cs2)cn1
InChIInChI=1S/C16H17N3O3S/c1-10-15(22-11(2)18-10)13-9-23-16(19-13)12-4-5-14(17-8-12)21-7-6-20-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyOCOLLRQELLFUAV-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.50
Rot. Bonds6

About 5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole

5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole (PubChem CID 122148571) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole
PubChem CID122148571
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole
SMILESCOCCOc1ccc(-c2nc(-c3oc(C)nc3C)cs2)cn1
InChIInChI=1S/C16H17N3O3S/c1-10-15(22-11(2)18-10)13-9-23-16(19-13)12-4-5-14(17-8-12)21-7-6-20-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyOCOLLRQELLFUAV-UHFFFAOYSA-N
XLogP3.50
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole (CID 122148571) is 5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole is COCCOc1ccc(-c2nc(-c3oc(C)nc3C)cs2)cn1.
What is the InChIKey of 5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole?
The InChIKey is OCOLLRQELLFUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-15(22-11(2)18-10)13-9-23-16(19-13)12-4-5-14(17-8-12)21-7-6-20-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole?
5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole has a molecular weight of 331.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 122148571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).