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

C20H19ClN2O3 — CID 46534858

IUPACN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
SMILESCN(Cc1ccc2c(c1)OCCO2)Cc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H19ClN2O3/c1-23(12-14-2-7-19-20(10-14)25-9-8-24-19)13-17-11-18(22-26-17)15-3-5-16(21)6-4-15/h2-7,10-11H,8-9,12-13H2,1H3
InChIKeyJGWXOTBBYIFWHZ-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.40
Rot. Bonds5

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

N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine (PubChem CID 46534858) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
PubChem CID46534858
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
SMILESCN(Cc1ccc2c(c1)OCCO2)Cc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H19ClN2O3/c1-23(12-14-2-7-19-20(10-14)25-9-8-24-19)13-17-11-18(22-26-17)15-3-5-16(21)6-4-15/h2-7,10-11H,8-9,12-13H2,1H3
InChIKeyJGWXOTBBYIFWHZ-UHFFFAOYSA-N
XLogP4.40
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 155946190
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine
CID 87013873
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
CID 56888188
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol
CID 65017848
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 56811259
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
CID 75384716
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
CID 56898566
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 131944626
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanamine
CID 78789134
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 134712685
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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine (CID 46534858) is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine is CN(Cc1ccc2c(c1)OCCO2)Cc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine?
The InChIKey is JGWXOTBBYIFWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-23(12-14-2-7-19-20(10-14)25-9-8-24-19)13-17-11-18(22-26-17)15-3-5-16(21)6-4-15/h2-7,10-11H,8-9,12-13H2,1H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine?
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine has a molecular weight of 370.84 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine is sourced from PubChem (CID 46534858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).