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

C22H22N2O4 — CID 56760489

IUPAC(2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccc(-c2noc3c2CN(C(=O)c2ccc(C)cc2OC)CC3)c1
InChIInChI=1S/C22H22N2O4/c1-14-7-8-17(20(11-14)27-3)22(25)24-10-9-19-18(13-24)21(23-28-19)15-5-4-6-16(12-15)26-2/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyQBMHABUFWIDBIX-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.87
Rot. Bonds4

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

(2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 56760489) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID56760489
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccc(-c2noc3c2CN(C(=O)c2ccc(C)cc2OC)CC3)c1
InChIInChI=1S/C22H22N2O4/c1-14-7-8-17(20(11-14)27-3)22(25)24-10-9-19-18(13-24)21(23-28-19)15-5-4-6-16(12-15)26-2/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyQBMHABUFWIDBIX-UHFFFAOYSA-N
XLogP3.87
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]thiophen-2-yl]ethanone
CID 29002553
(2-methylsulfanylphenyl)-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 25450039
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
CID 155985561
[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 83275727
(2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 29022575
(2,4-dimethylphenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121824
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 46970594
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
CID 29184365
5-[6-(methoxymethyl)pyrimidin-4-yl]-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56758536
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 42510874
(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092290

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 56760489) is (2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is COc1cccc(-c2noc3c2CN(C(=O)c2ccc(C)cc2OC)CC3)c1.
What is the InChIKey of (2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is QBMHABUFWIDBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14-7-8-17(20(11-14)27-3)22(25)24-10-9-19-18(13-24)21(23-28-19)15-5-4-6-16(12-15)26-2/h4-8,11-12H,9-10,13H2,1-3H3.
What are the key properties of (2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
(2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 378.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 56760489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).