N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine

C17H19N3O2 — CID 71544371

IUPACN,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine
SMILESCc1ccncc1-c1cccc2c(OCCN(C)C)noc12
InChIInChI=1S/C17H19N3O2/c1-12-7-8-18-11-15(12)13-5-4-6-14-16(13)22-19-17(14)21-10-9-20(2)3/h4-8,11H,9-10H2,1-3H3
InChIKeyZJAIJTSLWNKYGX-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.14
Rot. Bonds5

About N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine

N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine (PubChem CID 71544371) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine
PubChem CID71544371
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine
SMILESCc1ccncc1-c1cccc2c(OCCN(C)C)noc12
InChIInChI=1S/C17H19N3O2/c1-12-7-8-18-11-15(12)13-5-4-6-14-16(13)22-19-17(14)21-10-9-20(2)3/h4-8,11H,9-10H2,1-3H3
InChIKeyZJAIJTSLWNKYGX-UHFFFAOYSA-N
XLogP3.14
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine (CID 71544371) is N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine is Cc1ccncc1-c1cccc2c(OCCN(C)C)noc12.
What is the InChIKey of N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine?
The InChIKey is ZJAIJTSLWNKYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-7-8-18-11-15(12)13-5-4-6-14-16(13)22-19-17(14)21-10-9-20(2)3/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine?
N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine has a molecular weight of 297.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[7-(4-methyl-3-pyridinyl)-1,2-benzoxazol-3-yl]oxy]ethanamine is sourced from PubChem (CID 71544371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).