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

C24H26N2O6 — CID 11476137

IUPAC2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid
SMILESCOc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)c1
InChIInChI=1S/C24H26N2O6/c1-16-20(26-22(32-16)18-5-3-6-19(13-18)29-2)9-12-30-21-8-7-17(15-25-21)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
InChIKeyMNVXKRKUKYAITA-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.85
Rot. Bonds9

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

2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid (PubChem CID 11476137) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid
PubChem CID11476137
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid
SMILESCOc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)c1
InChIInChI=1S/C24H26N2O6/c1-16-20(26-22(32-16)18-5-3-6-19(13-18)29-2)9-12-30-21-8-7-17(15-25-21)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
InChIKeyMNVXKRKUKYAITA-UHFFFAOYSA-N
XLogP3.85
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
(3-(4-(4,5-Diphenyl-2-oxazolyl)-5-oxazolyl)phenoxy)acetic acid
CID 127861
(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]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
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
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
4-Hydroxy-7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16737799

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid (CID 11476137) is 2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid is COc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)c1.
What is the InChIKey of 2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid?
The InChIKey is MNVXKRKUKYAITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-16-20(26-22(32-16)18-5-3-6-19(13-18)29-2)9-12-30-21-8-7-17(15-25-21)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28).
What are the key properties of 2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid?
2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid has a molecular weight of 438.48 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 11476137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).