N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine

C19H21N3O4 — CID 95131588

IUPACN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)N(Cc1nc(-c2ccco2)no1)C[C@@H]1COc2ccccc2O1
InChIInChI=1S/C19H21N3O4/c1-13(2)22(10-14-12-24-15-6-3-4-7-16(15)25-14)11-18-20-19(21-26-18)17-8-5-9-23-17/h3-9,13-14H,10-12H2,1-2H3/t14-/m1/s1
InChIKeyGWOKFSFMOMODCH-CQSZACIVSA-N
MW355.39 g/mol
LogP3.38
Rot. Bonds6

About N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine (PubChem CID 95131588) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
PubChem CID95131588
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)N(Cc1nc(-c2ccco2)no1)C[C@@H]1COc2ccccc2O1
InChIInChI=1S/C19H21N3O4/c1-13(2)22(10-14-12-24-15-6-3-4-7-16(15)25-14)11-18-20-19(21-26-18)17-8-5-9-23-17/h3-9,13-14H,10-12H2,1-2H3/t14-/m1/s1
InChIKeyGWOKFSFMOMODCH-CQSZACIVSA-N
XLogP3.38
TPSA73.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]propanoic acid
CID 60833607
1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-methylmethanamine
CID 99929648
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 55410002
2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol
CID 111462171
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propan-2-yl)amino]acetic acid
CID 60839498
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 50963234
1-[N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]propan-2-ol
CID 51106357
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 43054305
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propan-2-yl)amino]propanoic acid
CID 60833770
N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 66184076
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 134019576
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine
CID 50954177

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine (CID 95131588) is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine is CC(C)N(Cc1nc(-c2ccco2)no1)C[C@@H]1COc2ccccc2O1.
What is the InChIKey of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The InChIKey is GWOKFSFMOMODCH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13(2)22(10-14-12-24-15-6-3-4-7-16(15)25-14)11-18-20-19(21-26-18)17-8-5-9-23-17/h3-9,13-14H,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine has a molecular weight of 355.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 95131588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).