2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid

C24H26N2O5 — CID 11464352

IUPAC2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCCO2)cn1
InChIInChI=1S/C24H26N2O5/c1-17-20(26-22(31-17)19-7-3-2-4-8-19)11-14-29-21-10-9-18(16-25-21)15-24(23(27)28)12-5-6-13-30-24/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,27,28)
InChIKeyHEIMHRZFDOAASV-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.23
Rot. Bonds8

About 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid

2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid (PubChem CID 11464352) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid
PubChem CID11464352
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCCO2)cn1
InChIInChI=1S/C24H26N2O5/c1-17-20(26-22(31-17)19-7-3-2-4-8-19)11-14-29-21-10-9-18(16-25-21)15-24(23(27)28)12-5-6-13-30-24/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,27,28)
InChIKeyHEIMHRZFDOAASV-UHFFFAOYSA-N
XLogP4.23
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid?
The IUPAC name of 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid (CID 11464352) is 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid.
What is the SMILES notation for 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid?
The canonical SMILES for 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCCO2)cn1.
What is the InChIKey of 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid?
The InChIKey is HEIMHRZFDOAASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-17-20(26-22(31-17)19-7-3-2-4-8-19)11-14-29-21-10-9-18(16-25-21)15-24(23(27)28)12-5-6-13-30-24/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,27,28).
What are the key properties of 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid?
2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid has a molecular weight of 422.48 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxane-2-carboxylic acid is sourced from PubChem (CID 11464352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).