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

C23H24N2O5 — CID 11165712

IUPAC2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1
InChIInChI=1S/C23H24N2O5/c1-16-19(25-21(30-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
InChIKeyWXJOPUMLDHSETD-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.84
Rot. Bonds8

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

2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid (PubChem CID 11165712) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid
PubChem CID11165712
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1
InChIInChI=1S/C23H24N2O5/c1-16-19(25-21(30-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
InChIKeyWXJOPUMLDHSETD-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

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

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Related Compounds

Methyl 2-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate
CID 16736221
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
(S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-2-pyrrol-1-yl-propionic acid
CID 9866595
6-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
CID 16110715
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-methoxyphenyl)heptane
CID 16735383
3-Hydroxy-7-phenyl-1-(5-(pyridin-2-yl)oxazol-2-yl)heptan-1-one
CID 16735839
7-Hydroxy-7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735854
3-(3-Phenylpropoxy)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736013
4-Phenethoxy-1-(5-(pyridin-2-yl)oxazol-2-yl)butan-1-one
CID 16736014
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-methoxyphenyl)heptane
CID 16736437
Methyl 4-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate
CID 16736444
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(2-methoxyphenyl)heptane
CID 16736927

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]oxolane-2-carboxylic acid?
The IUPAC name of 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid (CID 11165712) is 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxolane-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]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1.
What is the InChIKey of 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid?
The InChIKey is WXJOPUMLDHSETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-16-19(25-21(30-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)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-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid?
2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-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-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 11165712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).