3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

C14H18N2O3 — CID 102534289

IUPAC3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)Cc1noc2nc(C(C)C)cc(C(=O)O)c12
InChIInChI=1S/C14H18N2O3/c1-7(2)5-11-12-9(14(17)18)6-10(8(3)4)15-13(12)19-16-11/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyIGAALKFZCGOKOR-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.24
Rot. Bonds4

About 3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 102534289) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID102534289
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)Cc1noc2nc(C(C)C)cc(C(=O)O)c12
InChIInChI=1S/C14H18N2O3/c1-7(2)5-11-12-9(14(17)18)6-10(8(3)4)15-13(12)19-16-11/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyIGAALKFZCGOKOR-UHFFFAOYSA-N
XLogP3.24
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9391694
3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 105478828
3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 102534295
2-[[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527072
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 5133447
4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347045
[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 75395427
N-(1-aminopropan-2-yl)-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119582443
N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836038
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78899618
N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119586431
N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110008539

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 102534289) is 3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is CC(C)Cc1noc2nc(C(C)C)cc(C(=O)O)c12.
What is the InChIKey of 3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is IGAALKFZCGOKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-7(2)5-11-12-9(14(17)18)6-10(8(3)4)15-13(12)19-16-11/h6-8H,5H2,1-4H3,(H,17,18).
What are the key properties of 3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 102534289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).