formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one

C18H21N3O6 — CID 171709891

IUPACformic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCc3oc(C4CCOC4)nc3C2)c(=O)[nH]1.O=CO
InChIInChI=1S/C17H19N3O4.CH2O2/c1-10-2-3-12(15(21)18-10)17(22)20-6-4-14-13(8-20)19-16(24-14)11-5-7-23-9-11;2-1-3/h2-3,11H,4-9H2,1H3,(H,18,21);1H,(H,2,3)
InChIKeyAFWLNAANCNQGCP-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.07
Rot. Bonds2

About formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one

formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one (PubChem CID 171709891) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Nameformic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
PubChem CID171709891
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Nameformic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCc3oc(C4CCOC4)nc3C2)c(=O)[nH]1.O=CO
InChIInChI=1S/C17H19N3O4.CH2O2/c1-10-2-3-12(15(21)18-10)17(22)20-6-4-14-13(8-20)19-16(24-14)11-5-7-23-9-11;2-1-3/h2-3,11H,4-9H2,1H3,(H,18,21);1H,(H,2,3)
InChIKeyAFWLNAANCNQGCP-UHFFFAOYSA-N
XLogP1.07
TPSA125.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one
CID 170505632
(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170504825
(3-fluoro-2-methoxyphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169416934
1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione
CID 169414514
(3-methyl-1-benzofuran-2-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169411722
(5-ethylthiophen-2-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169417631
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[4-(oxolan-3-yl)phenyl]methanone
CID 170505748
(4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169413445
[4-(2-methyltetrazol-5-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169419500
[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 169416755
(1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511578
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169420051

Frequently Asked Questions

What is the IUPAC name of formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one?
The IUPAC name of formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one (CID 171709891) is formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCc3oc(C4CCOC4)nc3C2)c(=O)[nH]1.O=CO.
What is the InChIKey of formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one?
The InChIKey is AFWLNAANCNQGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4.CH2O2/c1-10-2-3-12(15(21)18-10)17(22)20-6-4-14-13(8-20)19-16(24-14)11-5-7-23-9-11;2-1-3/h2-3,11H,4-9H2,1H3,(H,18,21);1H,(H,2,3).
What are the key properties of formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one?
formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one has a molecular weight of 375.38 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 171709891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).