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

C23H23ClN2O5 — CID 11351238

IUPAC2-[[6-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid
SMILESCc1oc(-c2cccc(Cl)c2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1
InChIInChI=1S/C23H23ClN2O5/c1-15-19(26-21(31-15)17-4-2-5-18(24)12-17)8-11-29-20-7-6-16(14-25-20)13-23(22(27)28)9-3-10-30-23/h2,4-7,12,14H,3,8-11,13H2,1H3,(H,27,28)
InChIKeyUKJMTZGBGIXWHJ-UHFFFAOYSA-N
MW442.90 g/mol
LogP4.50
Rot. Bonds8

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

2-[[6-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid (PubChem CID 11351238) has the molecular formula C23H23ClN2O5 and a molecular weight of 442.90 g/mol. Its IUPAC name is 2-[[6-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[6-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid
PubChem CID11351238
Molecular FormulaC23H23ClN2O5
Molecular Weight442.90 g/mol
Exact Mass442.13
IUPAC Name2-[[6-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid
SMILESCc1oc(-c2cccc(Cl)c2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1
InChIInChI=1S/C23H23ClN2O5/c1-15-19(26-21(31-15)17-4-2-5-18(24)12-17)8-11-29-20-7-6-16(14-25-20)13-23(22(27)28)9-3-10-30-23/h2,4-7,12,14H,3,8-11,13H2,1H3,(H,27,28)
InChIKeyUKJMTZGBGIXWHJ-UHFFFAOYSA-N
XLogP4.50
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[[6-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid (CID 11351238) is 2-[[6-[2-[2-(3-chlorophenyl)-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-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[[6-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid is Cc1oc(-c2cccc(Cl)c2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1.
What is the InChIKey of 2-[[6-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid?
The InChIKey is UKJMTZGBGIXWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5/c1-15-19(26-21(31-15)17-4-2-5-18(24)12-17)8-11-29-20-7-6-16(14-25-20)13-23(22(27)28)9-3-10-30-23/h2,4-7,12,14H,3,8-11,13H2,1H3,(H,27,28).
What are the key properties of 2-[[6-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid?
2-[[6-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid has a molecular weight of 442.90 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3-pyridinyl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 11351238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).