5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C22H22N2O3 — CID 25278315

IUPAC5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCOc1cccc(-c2noc3c2CN(Cc2ccc4c(c2)CCO4)CC3)c1
InChIInChI=1S/C22H22N2O3/c1-25-18-4-2-3-17(12-18)22-19-14-24(9-7-21(19)27-23-22)13-15-5-6-20-16(11-15)8-10-26-20/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyFNBZTKDBVJETMK-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.84
Rot. Bonds4

About 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 25278315) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID25278315
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCOc1cccc(-c2noc3c2CN(Cc2ccc4c(c2)CCO4)CC3)c1
InChIInChI=1S/C22H22N2O3/c1-25-18-4-2-3-17(12-18)22-19-14-24(9-7-21(19)27-23-22)13-15-5-6-20-16(11-15)8-10-26-20/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyFNBZTKDBVJETMK-UHFFFAOYSA-N
XLogP3.84
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.84
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
5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 42564542
5-[6-(methoxymethyl)pyrimidin-4-yl]-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56758536
3-(3,4-difluorophenyl)-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 16677690
2-[4-[[3-(3-methoxyanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol
CID 92600090
methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 9126421
(2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 56760489
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one
CID 56744214
3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 29259331
3-(4-chlorophenyl)-5-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 9127218
3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647307
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 46970444

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 25278315) is 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is COc1cccc(-c2noc3c2CN(Cc2ccc4c(c2)CCO4)CC3)c1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is FNBZTKDBVJETMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-25-18-4-2-3-17(12-18)22-19-14-24(9-7-21(19)27-23-22)13-15-5-6-20-16(11-15)8-10-26-20/h2-6,11-12H,7-10,13-14H2,1H3.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 362.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 25278315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).