5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C22H24N2O3 — CID 42564542

IUPAC5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCOCc1cc(CN2CCc3onc(-c4ccccc4)c3C2)ccc1OC
InChIInChI=1S/C22H24N2O3/c1-25-15-18-12-16(8-9-20(18)26-2)13-24-11-10-21-19(14-24)22(23-27-21)17-6-4-3-5-7-17/h3-9,12H,10-11,13-15H2,1-2H3
InChIKeyJKJYUWYSVRWETH-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.05
Rot. Bonds6

About 5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 42564542) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID42564542
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCOCc1cc(CN2CCc3onc(-c4ccccc4)c3C2)ccc1OC
InChIInChI=1S/C22H24N2O3/c1-25-15-18-12-16(8-9-20(18)26-2)13-24-11-10-21-19(14-24)22(23-27-21)17-6-4-3-5-7-17/h3-9,12H,10-11,13-15H2,1-2H3
InChIKeyJKJYUWYSVRWETH-UHFFFAOYSA-N
XLogP4.05
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 25278315
3-phenyl-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 25372194
4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56749369
5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56743156
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-(3,4-difluorophenyl)-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 16677690
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-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine
CID 77097117
5-[6-(methoxymethyl)pyrimidin-4-yl]-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56758536
5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 83850276
2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 45233862
5-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95188869

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 42564542) is 5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is COCc1cc(CN2CCc3onc(-c4ccccc4)c3C2)ccc1OC.
What is the InChIKey of 5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is JKJYUWYSVRWETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-25-15-18-12-16(8-9-20(18)26-2)13-24-11-10-21-19(14-24)22(23-27-21)17-6-4-3-5-7-17/h3-9,12H,10-11,13-15H2,1-2H3.
What are the key properties of 5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 364.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 42564542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).