1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone

C19H22N2O4 — CID 170508191

IUPAC1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(O)C(=O)N2CCc3oc(C4CCC4)nc3C2)cc1
InChIInChI=1S/C19H22N2O4/c1-24-14-7-5-12(6-8-14)17(22)19(23)21-10-9-16-15(11-21)20-18(25-16)13-3-2-4-13/h5-8,13,17,22H,2-4,9-11H2,1H3
InChIKeyIUUVRGLLDLHQBQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone

1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone (PubChem CID 170508191) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone
PubChem CID170508191
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(O)C(=O)N2CCc3oc(C4CCC4)nc3C2)cc1
InChIInChI=1S/C19H22N2O4/c1-24-14-7-5-12(6-8-14)17(22)19(23)21-10-9-16-15(11-21)20-18(25-16)13-3-2-4-13/h5-8,13,17,22H,2-4,9-11H2,1H3
InChIKeyIUUVRGLLDLHQBQ-UHFFFAOYSA-N
XLogP2.57
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-2-hydroxy-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 170507538
1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-hydroxy-2-phenylpropan-1-one
CID 170506642
6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 169422207
(2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 95388464
(4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169413445
[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512082
3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 170505389
6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 170506722
[5-(4-methylphenyl)furan-2-yl]-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169420219
N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide
CID 170510030
(3-fluoro-2-methoxyphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169416934
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 170511702

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone (CID 170508191) is 1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone is COc1ccc(C(O)C(=O)N2CCc3oc(C4CCC4)nc3C2)cc1.
What is the InChIKey of 1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone?
The InChIKey is IUUVRGLLDLHQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-14-7-5-12(6-8-14)17(22)19(23)21-10-9-16-15(11-21)20-18(25-16)13-3-2-4-13/h5-8,13,17,22H,2-4,9-11H2,1H3.
What are the key properties of 1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone?
1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone has a molecular weight of 342.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 170508191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).