3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H23N3O3 — CID 166282749

IUPAC3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)NC34CCCC(C3)OC4)c12
InChIInChI=1S/C18H23N3O3/c1-10(2)14-7-13(15-11(3)21-24-17(15)19-14)16(22)20-18-6-4-5-12(8-18)23-9-18/h7,10,12H,4-6,8-9H2,1-3H3,(H,20,22)
InChIKeyQGLBBVWQHSGDQV-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.10
Rot. Bonds3

About 3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166282749) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166282749
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)NC34CCCC(C3)OC4)c12
InChIInChI=1S/C18H23N3O3/c1-10(2)14-7-13(15-11(3)21-24-17(15)19-14)16(22)20-18-6-4-5-12(8-18)23-9-18/h7,10,12H,4-6,8-9H2,1-3H3,(H,20,22)
InChIKeyQGLBBVWQHSGDQV-UHFFFAOYSA-N
XLogP3.10
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]thiolane-3-carboxylic acid
CID 120531428
N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110008539
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51717084
3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9391694
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51721763
N-(2,3-dimethylcyclohexyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112807013
N-(2-amino-2-methylpropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627163
N-[2-(aminomethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119601937
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78899618
3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78835772
N'-(2-hydroxybenzoyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 78831253
3-methyl-6-propan-2-yl-N-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78882543

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 166282749) is 3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)NC34CCCC(C3)OC4)c12.
What is the InChIKey of 3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QGLBBVWQHSGDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-10(2)14-7-13(15-11(3)21-24-17(15)19-14)16(22)20-18-6-4-5-12(8-18)23-9-18/h7,10,12H,4-6,8-9H2,1-3H3,(H,20,22).
What are the key properties of 3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-oxabicyclo[3.2.1]octan-1-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166282749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).