1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine

C20H22N2O3S — CID 56854486

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCc1oc(-c2ccsc2)nc1CN(C)C(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O3S/c1-13(15-4-5-18-19(10-15)24-8-7-23-18)22(3)11-17-14(2)25-20(21-17)16-6-9-26-12-16/h4-6,9-10,12-13H,7-8,11H2,1-3H3
InChIKeyFPJHTUUAVXZFOS-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.68
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 56854486) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID56854486
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCc1oc(-c2ccsc2)nc1CN(C)C(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O3S/c1-13(15-4-5-18-19(10-15)24-8-7-23-18)22(3)11-17-14(2)25-20(21-17)16-6-9-26-12-16/h4-6,9-10,12-13H,7-8,11H2,1-3H3
InChIKeyFPJHTUUAVXZFOS-UHFFFAOYSA-N
XLogP4.68
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 26329964
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 26329967
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine
CID 45220191
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine
CID 29028159
1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 26318871
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 99929254
(1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 42287529
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 92742928
N-ethyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
CID 42190219
N-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45174340
(1S)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-thiophen-2-ylethanamine
CID 42379215
1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 110923157

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine (CID 56854486) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine is Cc1oc(-c2ccsc2)nc1CN(C)C(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is FPJHTUUAVXZFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13(15-4-5-18-19(10-15)24-8-7-23-18)22(3)11-17-14(2)25-20(21-17)16-6-9-26-12-16/h4-6,9-10,12-13H,7-8,11H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine has a molecular weight of 370.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 56854486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).