5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid

C18H18N2O5 — CID 88979314

IUPAC5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccc([C@H]2CC(Oc3ccc(C(=O)O)nc3)=NO2)cc1
InChIInChI=1S/C18H18N2O5/c1-11(2)23-13-5-3-12(4-6-13)16-9-17(20-25-16)24-14-7-8-15(18(21)22)19-10-14/h3-8,10-11,16H,9H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyFULQSGOPHWARIM-MRXNPFEDSA-N
MW342.35 g/mol
LogP3.42
Rot. Bonds5

About 5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid

5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid (PubChem CID 88979314) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid
PubChem CID88979314
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccc([C@H]2CC(Oc3ccc(C(=O)O)nc3)=NO2)cc1
InChIInChI=1S/C18H18N2O5/c1-11(2)23-13-5-3-12(4-6-13)16-9-17(20-25-16)24-14-7-8-15(18(21)22)19-10-14/h3-8,10-11,16H,9H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyFULQSGOPHWARIM-MRXNPFEDSA-N
XLogP3.42
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid (CID 88979314) is 5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid is CC(C)Oc1ccc([C@H]2CC(Oc3ccc(C(=O)O)nc3)=NO2)cc1.
What is the InChIKey of 5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid?
The InChIKey is FULQSGOPHWARIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11(2)23-13-5-3-12(4-6-13)16-9-17(20-25-16)24-14-7-8-15(18(21)22)19-10-14/h3-8,10-11,16H,9H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid?
5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid has a molecular weight of 342.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 88979314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).