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

C15H18N2O3 — CID 104889435

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C15H18N2O3/c1-2-12-9-17-15(20-12)10-16-8-11-3-4-13-14(7-11)19-6-5-18-13/h3-4,7,9,16H,2,5-6,8,10H2,1H3
InChIKeyAJYBXJCRNVHLJU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.30
Rot. Bonds5

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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 104889435) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID104889435
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C15H18N2O3/c1-2-12-9-17-15(20-12)10-16-8-11-3-4-13-14(7-11)19-6-5-18-13/h3-4,7,9,16H,2,5-6,8,10H2,1H3
InChIKeyAJYBXJCRNVHLJU-UHFFFAOYSA-N
XLogP2.30
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(3,4-difluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275334
1-(4-bromo-3-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275273
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 103275184
4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol
CID 106369147
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
CID 103275097
N-[(5-chlorofuran-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 60659002
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-ethoxyphenyl)methanamine
CID 18437826
N-[(3-chloro-4-methylphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 106816117
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305688
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 104889468

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 104889435) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is CCc1cnc(CNCc2ccc3c(c2)OCCO3)o1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is AJYBXJCRNVHLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-12-9-17-15(20-12)10-16-8-11-3-4-13-14(7-11)19-6-5-18-13/h3-4,7,9,16H,2,5-6,8,10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 274.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 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-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 104889435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).