3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C20H22N4O4 — CID 56743474

IUPAC3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)Cc1nc(CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)no1
InChIInChI=1S/C20H22N4O4/c1-12(2)7-19-21-18(22-28-19)10-24-6-5-15-14(9-24)20(23-27-15)13-3-4-16-17(8-13)26-11-25-16/h3-4,8,12H,5-7,9-11H2,1-2H3
InChIKeySICNFTOUSQRXOB-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.21
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56743474) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56743474
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)Cc1nc(CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)no1
InChIInChI=1S/C20H22N4O4/c1-12(2)7-19-21-18(22-28-19)10-24-6-5-15-14(9-24)20(23-27-15)13-3-4-16-17(8-13)26-11-25-16/h3-4,8,12H,5-7,9-11H2,1-2H3
InChIKeySICNFTOUSQRXOB-UHFFFAOYSA-N
XLogP3.21
TPSA86.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-yl)-5-(1-methylsulfanylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 45205012
3-(1,3-benzodioxol-5-yl)-5-[(2S)-1-methylsulfanylpropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 25482236
1-[3-(1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-methylpentane-1,2-dione
CID 25374169
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524197
5-(1,3-benzodioxol-4-ylmethyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 29022737
3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 26409363
3-(1,3-benzodioxol-5-yl)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 42511763
3-[[4-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 99953876
1-[3-(1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 95201624
3-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 56702064
3-(3,4-difluorophenyl)-5-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 26320424
5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 56745598

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56743474) is 3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CC(C)Cc1nc(CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)no1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is SICNFTOUSQRXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12(2)7-19-21-18(22-28-19)10-24-6-5-15-14(9-24)20(23-27-15)13-3-4-16-17(8-13)26-11-25-16/h3-4,8,12H,5-7,9-11H2,1-2H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 382.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56743474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).