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

C12H17N3O3 — CID 178148013

IUPAC6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
SMILESCC1CCN(C(=O)N2CCc3c(o[nH]c3=O)C2)C1
InChIInChI=1S/C12H17N3O3/c1-8-2-4-14(6-8)12(17)15-5-3-9-10(7-15)18-13-11(9)16/h8H,2-7H2,1H3,(H,13,16)
InChIKeyZHCLZRXWNMMHKS-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.79
Rot. Bonds

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

6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one (PubChem CID 178148013) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
PubChem CID178148013
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
SMILESCC1CCN(C(=O)N2CCc3c(o[nH]c3=O)C2)C1
InChIInChI=1S/C12H17N3O3/c1-8-2-4-14(6-8)12(17)15-5-3-9-10(7-15)18-13-11(9)16/h8H,2-7H2,1H3,(H,13,16)
InChIKeyZHCLZRXWNMMHKS-UHFFFAOYSA-N
XLogP0.79
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one with MolForge

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Related Compounds

methyl 3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate
CID 54330222
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride
CID 135331341
6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 58575395
(3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone
CID 130679410
N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide
CID 167975510
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 104976373
3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 178147964
ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone
CID 144702631
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 79159479
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 177134757

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
The IUPAC name of 6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one (CID 178148013) is 6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one.
What is the SMILES notation for 6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
The canonical SMILES for 6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one is CC1CCN(C(=O)N2CCc3c(o[nH]c3=O)C2)C1.
What is the InChIKey of 6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
The InChIKey is ZHCLZRXWNMMHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-2-4-14(6-8)12(17)15-5-3-9-10(7-15)18-13-11(9)16/h8H,2-7H2,1H3,(H,13,16).
What are the key properties of 6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one has a molecular weight of 251.29 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one is sourced from PubChem (CID 178148013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).