3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H25N3O3 — CID 71847295

IUPAC3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCOC3(CCCCC3)C2)c2c(C)noc2n1
InChIInChI=1S/C19H25N3O3/c1-12-10-15(16-13(2)22-25-18(16)20-12)17(23)21-14-6-9-24-19(11-14)7-4-3-5-8-19/h10,14H,3-9,11H2,1-2H3,(H,21,23)
InChIKeyXIETVCHIZRUIKH-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.45
Rot. Bonds2

About 3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 71847295) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID71847295
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCOC3(CCCCC3)C2)c2c(C)noc2n1
InChIInChI=1S/C19H25N3O3/c1-12-10-15(16-13(2)22-25-18(16)20-12)17(23)21-14-6-9-24-19(11-14)7-4-3-5-8-19/h10,14H,3-9,11H2,1-2H3,(H,21,23)
InChIKeyXIETVCHIZRUIKH-UHFFFAOYSA-N
XLogP3.45
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

3,6-dimethyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119388173
1-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 56811893
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97218365
3,6-dimethyl-N-(2-methylpiperidin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120574234
N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24605416
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)pyridine-4-carboxamide
CID 166234579
N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18142811
N-(2-amino-1-cyclohexylethyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119590638
N-cyclopentyl-6-methyl-3-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134789890
N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide
CID 99780999
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 139009735

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 71847295) is 3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCOC3(CCCCC3)C2)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XIETVCHIZRUIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-10-15(16-13(2)22-25-18(16)20-12)17(23)21-14-6-9-24-19(11-14)7-4-3-5-8-19/h10,14H,3-9,11H2,1-2H3,(H,21,23).
What are the key properties of 3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 71847295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).