1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine

C19H18Cl2N2O2 — CID 10339536

IUPAC1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2oc(C)nc2C)ccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-11-19(24-12(2)23-11)13-4-7-18(14(8-13)10-22-3)25-15-5-6-16(20)17(21)9-15/h4-9,22H,10H2,1-3H3
InChIKeyWXXHYSUXKJDTST-UHFFFAOYSA-N
MW377.27 g/mol
LogP5.78
Rot. Bonds5

About 1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine

1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine (PubChem CID 10339536) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine
PubChem CID10339536
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2oc(C)nc2C)ccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-11-19(24-12(2)23-11)13-4-7-18(14(8-13)10-22-3)25-15-5-6-16(20)17(21)9-15/h4-9,22H,10H2,1-3H3
InChIKeyWXXHYSUXKJDTST-UHFFFAOYSA-N
XLogP5.78
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dichlorophenoxy)-5-methylsulfanylphenyl]-N-methylmethanamine
CID 10131454
1-[5-but-1-ynyl-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 141198794
1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250238
1-[4-(3,4-dichlorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63551292
2-[2-(3,4-dichlorophenoxy)-5-(2-methylpyrimidin-4-yl)phenyl]-N-methylethanamine
CID 70151208
1-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]-3-methylimidazolidin-2-one
CID 10110287
5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole
CID 13268420
1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 63552208
1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855838
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796195

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine (CID 10339536) is 1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine is CNCc1cc(-c2oc(C)nc2C)ccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine?
The InChIKey is WXXHYSUXKJDTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-11-19(24-12(2)23-11)13-4-7-18(14(8-13)10-22-3)25-15-5-6-16(20)17(21)9-15/h4-9,22H,10H2,1-3H3.
What are the key properties of 1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine?
1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine has a molecular weight of 377.27 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenoxy)-5-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 10339536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).