N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine

C20H25N3O5 — CID 56775781

IUPACN-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESc1cc(CNC2(Cc3cc(CN4CCOCC4)on3)COC2)c2c(c1)OCO2
InChIInChI=1S/C20H25N3O5/c1-2-15(19-18(3-1)26-14-27-19)10-21-20(12-25-13-20)9-16-8-17(28-22-16)11-23-4-6-24-7-5-23/h1-3,8,21H,4-7,9-14H2
InChIKeyILTLKMLQQXFPDZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.34
Rot. Bonds7

About N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine

N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (PubChem CID 56775781) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
PubChem CID56775781
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESc1cc(CNC2(Cc3cc(CN4CCOCC4)on3)COC2)c2c(c1)OCO2
InChIInChI=1S/C20H25N3O5/c1-2-15(19-18(3-1)26-14-27-19)10-21-20(12-25-13-20)9-16-8-17(28-22-16)11-23-4-6-24-7-5-23/h1-3,8,21H,4-7,9-14H2
InChIKeyILTLKMLQQXFPDZ-UHFFFAOYSA-N
XLogP1.34
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
CID 56775490
3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine
CID 56775786
N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide
CID 56775812
4-(1,3-benzodioxol-4-ylmethyl)-7-(morpholin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 126465283
N-(1,3-benzodioxol-4-ylmethyl)-1-methylcyclopent-3-en-1-amine
CID 167922399
N-(2-ethylphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950884
1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine
CID 70905419
N-(1,3-benzodioxol-4-ylmethyl)-4-bromo-2-fluoroaniline
CID 43583401
3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol
CID 56775736
N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357909
N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine
CID 107234328
3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine
CID 56775664

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (CID 56775781) is N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is c1cc(CNC2(Cc3cc(CN4CCOCC4)on3)COC2)c2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The InChIKey is ILTLKMLQQXFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-2-15(19-18(3-1)26-14-27-19)10-21-20(12-25-13-20)9-16-8-17(28-22-16)11-23-4-6-24-7-5-23/h1-3,8,21H,4-7,9-14H2.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine has a molecular weight of 387.44 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is sourced from PubChem (CID 56775781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).