1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one

C19H25N3O3 — CID 170510010

IUPAC1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
SMILESCc1ccc(C(=O)N2CCc3oc(CCC(C)C)nc3C2)c(=O)n1C
InChIInChI=1S/C19H25N3O3/c1-12(2)5-8-17-20-15-11-22(10-9-16(15)25-17)19(24)14-7-6-13(3)21(4)18(14)23/h6-7,12H,5,8-11H2,1-4H3
InChIKeyXBCHOCYLMNUDBM-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.47
Rot. Bonds4

About 1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one

1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one (PubChem CID 170510010) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
PubChem CID170510010
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
SMILESCc1ccc(C(=O)N2CCc3oc(CCC(C)C)nc3C2)c(=O)n1C
InChIInChI=1S/C19H25N3O3/c1-12(2)5-8-17-20-15-11-22(10-9-16(15)25-17)19(24)14-7-6-13(3)21(4)18(14)23/h6-7,12H,5,8-11H2,1-4H3
InChIKeyXBCHOCYLMNUDBM-UHFFFAOYSA-N
XLogP2.47
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169421964
(2,3-dichlorophenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169418475
(2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 171906944
(8-fluoroquinolin-2-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170505117
(5-hydroxy-1,2-dimethylindol-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170503579
(5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one
CID 170505726
(4-hydroxy-3,5-dimethoxyphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170507395
[6-(dimethylamino)-3-pyridinyl]-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170504365
[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 170503288
3-methoxy-1-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 169419723
3-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 170506205
[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 170509582

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one?
The IUPAC name of 1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one (CID 170510010) is 1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one is Cc1ccc(C(=O)N2CCc3oc(CCC(C)C)nc3C2)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one?
The InChIKey is XBCHOCYLMNUDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(2)5-8-17-20-15-11-22(10-9-16(15)25-17)19(24)14-7-6-13(3)21(4)18(14)23/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of 1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one?
1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one has a molecular weight of 343.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one is sourced from PubChem (CID 170510010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).