(4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

C19H22N2O4 — CID 169413445

IUPAC(4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc(C(=O)N2CCc3oc(C4CCOC4)nc3C2)cc1C
InChIInChI=1S/C19H22N2O4/c1-12-9-13(3-4-16(12)23-2)19(22)21-7-5-17-15(10-21)20-18(25-17)14-6-8-24-11-14/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKeyAOWYHTGHOHGCLT-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.69
Rot. Bonds3

About (4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

(4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169413445) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID169413445
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc(C(=O)N2CCc3oc(C4CCOC4)nc3C2)cc1C
InChIInChI=1S/C19H22N2O4/c1-12-9-13(3-4-16(12)23-2)19(22)21-7-5-17-15(10-21)20-18(25-17)14-6-8-24-11-14/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKeyAOWYHTGHOHGCLT-UHFFFAOYSA-N
XLogP2.69
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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
(3-fluoro-2-methoxyphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169416934
[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
[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
[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 169416755
1,3-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
(5-ethylthiophen-2-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169417631
(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
(3-methylsulfonylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169418807
(1-methyl-3-phenylpyrazol-5-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169417190
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
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

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 169413445) is (4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is COc1ccc(C(=O)N2CCc3oc(C4CCOC4)nc3C2)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is AOWYHTGHOHGCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-9-13(3-4-16(12)23-2)19(22)21-7-5-17-15(10-21)20-18(25-17)14-6-8-24-11-14/h3-4,9,14H,5-8,10-11H2,1-2H3.
What are the key properties of (4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
(4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169413445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).