N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride

C18H25ClN2O2 — CID 6448472

IUPACN,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride
SMILESCCN(CC)CCOc1ccccc1/C=C/c1cc(C)no1.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-4-20(5-2)12-13-21-18-9-7-6-8-16(18)10-11-17-14-15(3)19-22-17;/h6-11,14H,4-5,12-13H2,1-3H3;1H/b11-10+;
InChIKeyMYYKVPPYIYKUKQ-ASTDGNLGSA-N
MW336.86 g/mol
LogP4.30
Rot. Bonds8

About N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride

N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride (PubChem CID 6448472) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride
PubChem CID6448472
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride
SMILESCCN(CC)CCOc1ccccc1/C=C/c1cc(C)no1.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-4-20(5-2)12-13-21-18-9-7-6-8-16(18)10-11-17-14-15(3)19-22-17;/h6-11,14H,4-5,12-13H2,1-3H3;1H/b11-10+;
InChIKeyMYYKVPPYIYKUKQ-ASTDGNLGSA-N
XLogP4.30
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride (CID 6448472) is N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride is CCN(CC)CCOc1ccccc1/C=C/c1cc(C)no1.Cl.
What is the InChIKey of N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride?
The InChIKey is MYYKVPPYIYKUKQ-ASTDGNLGSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c1-4-20(5-2)12-13-21-18-9-7-6-8-16(18)10-11-17-14-15(3)19-22-17;/h6-11,14H,4-5,12-13H2,1-3H3;1H/b11-10+;.
What are the key properties of N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride?
N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 6448472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).