(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

C15H18N2O3 — CID 99958125

IUPAC(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESC[C@H](c1ccon1)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H18N2O3/c1-11(13-5-6-20-16-13)17(2)10-12-3-4-14-15(9-12)19-8-7-18-14/h3-6,9,11H,7-8,10H2,1-2H3/t11-/m1/s1
InChIKeyHIQBNTOCJUDOCK-LLVKDONJSA-N
MW274.32 g/mol
LogP2.64
Rot. Bonds4

About (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 99958125) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
PubChem CID99958125
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESC[C@H](c1ccon1)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H18N2O3/c1-11(13-5-6-20-16-13)17(2)10-12-3-4-14-15(9-12)19-8-7-18-14/h3-6,9,11H,7-8,10H2,1-2H3/t11-/m1/s1
InChIKeyHIQBNTOCJUDOCK-LLVKDONJSA-N
XLogP2.64
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117039970
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 77093245
7-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 56720422
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 138997237
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202644
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111496963
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine
CID 99854678
[2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate
CID 46986497
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 56811259
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
(2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 9357083
(2S)-N-(4-chlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
CID 9357109

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The IUPAC name of (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (CID 99958125) is (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is C[C@H](c1ccon1)N(C)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The InChIKey is HIQBNTOCJUDOCK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(13-5-6-20-16-13)17(2)10-12-3-4-14-15(9-12)19-8-7-18-14/h3-6,9,11H,7-8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 274.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 99958125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).