6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

C14H16N2O4 — CID 118445756

IUPAC6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)(C)Oc1noc2nc(C3CC3)cc(C(=O)O)c12
InChIInChI=1S/C14H16N2O4/c1-14(2,3)19-12-10-8(13(17)18)6-9(7-4-5-7)15-11(10)20-16-12/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyHKILOVOCAFHLNZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.98
Rot. Bonds3

About 6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 118445756) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID118445756
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)(C)Oc1noc2nc(C3CC3)cc(C(=O)O)c12
InChIInChI=1S/C14H16N2O4/c1-14(2,3)19-12-10-8(13(17)18)6-9(7-4-5-7)15-11(10)20-16-12/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyHKILOVOCAFHLNZ-UHFFFAOYSA-N
XLogP2.98
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
2-benzoyloxyethyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 43056538
3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4,5-dimethoxybenzoic acid
CID 119214141
N-(1-amino-2-methylpropan-2-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119524902
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 40875796
(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368348
6-cyclopropyl-3-methyl-N-(1-propylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86916614
methyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoate
CID 51302326
(2S)-2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 120615622
6-cyclopropyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853181
methyl 1-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylate
CID 78842938
naphthalen-1-ylmethyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 86776570

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 118445756) is 6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is CC(C)(C)Oc1noc2nc(C3CC3)cc(C(=O)O)c12.
What is the InChIKey of 6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is HKILOVOCAFHLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-14(2,3)19-12-10-8(13(17)18)6-9(7-4-5-7)15-11(10)20-16-12/h6-7H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 118445756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).