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

C16H21ClN2O2 — CID 6448474

IUPACN,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride
SMILESCc1cc(/C=C/c2ccccc2OCCN(C)C)on1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-13-12-15(20-17-13)9-8-14-6-4-5-7-16(14)19-11-10-18(2)3;/h4-9,12H,10-11H2,1-3H3;1H/b9-8+;
InChIKeyZNDYHTXLWJKSMR-HRNDJLQDSA-N
MW308.81 g/mol
LogP3.52
Rot. Bonds6

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

N,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride (PubChem CID 6448474) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride
PubChem CID6448474
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride
SMILESCc1cc(/C=C/c2ccccc2OCCN(C)C)on1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-13-12-15(20-17-13)9-8-14-6-4-5-7-16(14)19-11-10-18(2)3;/h4-9,12H,10-11H2,1-3H3;1H/b9-8+;
InChIKeyZNDYHTXLWJKSMR-HRNDJLQDSA-N
XLogP3.52
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride (CID 6448474) is N,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride is Cc1cc(/C=C/c2ccccc2OCCN(C)C)on1.Cl.
What is the InChIKey of N,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride?
The InChIKey is ZNDYHTXLWJKSMR-HRNDJLQDSA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-13-12-15(20-17-13)9-8-14-6-4-5-7-16(14)19-11-10-18(2)3;/h4-9,12H,10-11H2,1-3H3;1H/b9-8+;.
What are the key properties of N,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride?
N,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 6448474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).