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

C23H24N2O5 — CID 11774184

IUPAC2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)nc1
InChIInChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
InChIKeyOYWWKKYTRPWVCD-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.84
Rot. Bonds8

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

2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid (PubChem CID 11774184) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid
PubChem CID11774184
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)nc1
InChIInChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
InChIKeyOYWWKKYTRPWVCD-UHFFFAOYSA-N
XLogP3.84
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid (CID 11774184) is 2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)nc1.
What is the InChIKey of 2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid?
The InChIKey is OYWWKKYTRPWVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27).
What are the key properties of 2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid?
2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid has a molecular weight of 408.45 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 11774184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).