1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine

C14H16N2O3 — CID 155946190

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCN(Cc1ccc2c(c1)OCCO2)Cc1ccno1
InChIInChI=1S/C14H16N2O3/c1-16(10-12-4-5-15-19-12)9-11-2-3-13-14(8-11)18-7-6-17-13/h2-5,8H,6-7,9-10H2,1H3
InChIKeyWTLMIGDAPWSSPF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.08
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 155946190) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID155946190
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCN(Cc1ccc2c(c1)OCCO2)Cc1ccno1
InChIInChI=1S/C14H16N2O3/c1-16(10-12-4-5-15-19-12)9-11-2-3-13-14(8-11)18-7-6-17-13/h2-5,8H,6-7,9-10H2,1H3
InChIKeyWTLMIGDAPWSSPF-UHFFFAOYSA-N
XLogP2.08
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 46534858
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanamine
CID 78789134
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 56811259
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 51114822
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 70761731
methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate
CID 115232427
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202644
1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol
CID 110897292
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate
CID 115257414
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpropanamide
CID 115649422

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 155946190) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine is CN(Cc1ccc2c(c1)OCCO2)Cc1ccno1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is WTLMIGDAPWSSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16(10-12-4-5-15-19-12)9-11-2-3-13-14(8-11)18-7-6-17-13/h2-5,8H,6-7,9-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine has a molecular weight of 260.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 155946190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).