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

C20H22N2O4 — CID 45220191

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine
SMILESCc1oc(-c2ccco2)nc1CN(C)C(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O4/c1-13(15-6-7-17-19(11-15)25-10-9-24-17)22(3)12-16-14(2)26-20(21-16)18-5-4-8-23-18/h4-8,11,13H,9-10,12H2,1-3H3
InChIKeyYGEBICMELBDVTH-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.21
Rot. Bonds5

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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine (PubChem CID 45220191) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine
PubChem CID45220191
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine
SMILESCc1oc(-c2ccco2)nc1CN(C)C(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O4/c1-13(15-6-7-17-19(11-15)25-10-9-24-17)22(3)12-16-14(2)26-20(21-16)18-5-4-8-23-18/h4-8,11,13H,9-10,12H2,1-3H3
InChIKeyYGEBICMELBDVTH-UHFFFAOYSA-N
XLogP4.21
TPSA60.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 56854486
3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid
CID 119228152
(1S)-N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylethanamine
CID 42189949
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 99929254
(2S,3S)-N,N-bis[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95313608
4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol
CID 111457033
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717
N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45203103
(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 42244928
(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
CID 119244019

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine?
The IUPAC name of 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) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine is Cc1oc(-c2ccco2)nc1CN(C)C(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine?
The InChIKey is YGEBICMELBDVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(15-6-7-17-19(11-15)25-10-9-24-17)22(3)12-16-14(2)26-20(21-16)18-5-4-8-23-18/h4-8,11,13H,9-10,12H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine has a molecular weight of 354.41 g/mol, XLogP of 4.21, 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-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 45220191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).