2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine

C15H19ClN2O2 — CID 78790279

IUPAC2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
SMILESCc1noc(C)c1CN(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-11-15(12(2)20-17-11)10-18(3)8-9-19-14-6-4-13(16)5-7-14/h4-7H,8-10H2,1-3H3
InChIKeyYBBHDYJGTVMVJM-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine

2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine (PubChem CID 78790279) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
PubChem CID78790279
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
SMILESCc1noc(C)c1CN(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-11-15(12(2)20-17-11)10-18(3)8-9-19-14-6-4-13(16)5-7-14/h4-7H,8-10H2,1-3H3
InChIKeyYBBHDYJGTVMVJM-UHFFFAOYSA-N
XLogP3.46
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propoxy]benzonitrile
CID 60500512
4-[2-(4-chlorophenoxy)ethylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 84603511
2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 55680416
N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
CID 60509470
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87016607
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide
CID 75474791
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
CID 39750578
[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2409547
3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 167812715
3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
CID 52679477
N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93242361

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine (CID 78790279) is 2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine is Cc1noc(C)c1CN(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine?
The InChIKey is YBBHDYJGTVMVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11-15(12(2)20-17-11)10-18(3)8-9-19-14-6-4-13(16)5-7-14/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine?
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine has a molecular weight of 294.78 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 78790279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).