3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

C15H12N2O3 — CID 102534295

IUPAC3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCc1noc2nc(-c3ccccc3)cc(C(=O)O)c12
InChIInChI=1S/C15H12N2O3/c1-2-11-13-10(15(18)19)8-12(16-14(13)20-17-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,18,19)
InChIKeyAQTVRXASABZCPO-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.15
Rot. Bonds3

About 3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 102534295) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID102534295
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCc1noc2nc(-c3ccccc3)cc(C(=O)O)c12
InChIInChI=1S/C15H12N2O3/c1-2-11-13-10(15(18)19)8-12(16-14(13)20-17-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,18,19)
InChIKeyAQTVRXASABZCPO-UHFFFAOYSA-N
XLogP3.15
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 105478828
propyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46542963
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
ethyl 4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 45493259
2-hydroxyethyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 71943087
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55539659
[2-(diethylamino)-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681591
6-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 29091420
methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 29091596
N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134061039
N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97185405
4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid
CID 166192121

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 102534295) is 3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is CCc1noc2nc(-c3ccccc3)cc(C(=O)O)c12.
What is the InChIKey of 3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is AQTVRXASABZCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-11-13-10(15(18)19)8-12(16-14(13)20-17-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 102534295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).