N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine

C19H22N4O2 — CID 53311489

IUPACN-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine
SMILESCOCCN(C)c1ncc(-c2cccc(Nc3cccc(C)c3)n2)o1
InChIInChI=1S/C19H22N4O2/c1-14-6-4-7-15(12-14)21-18-9-5-8-16(22-18)17-13-20-19(25-17)23(2)10-11-24-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,22)
InChIKeyPUIOFFIFHDDYFR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.87
Rot. Bonds7

About N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine

N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine (PubChem CID 53311489) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine
PubChem CID53311489
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine
SMILESCOCCN(C)c1ncc(-c2cccc(Nc3cccc(C)c3)n2)o1
InChIInChI=1S/C19H22N4O2/c1-14-6-4-7-15(12-14)21-18-9-5-8-16(22-18)17-13-20-19(25-17)23(2)10-11-24-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,22)
InChIKeyPUIOFFIFHDDYFR-UHFFFAOYSA-N
XLogP3.87
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine (CID 53311489) is N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine is COCCN(C)c1ncc(-c2cccc(Nc3cccc(C)c3)n2)o1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine?
The InChIKey is PUIOFFIFHDDYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-6-4-7-15(12-14)21-18-9-5-8-16(22-18)17-13-20-19(25-17)23(2)10-11-24-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,22).
What are the key properties of N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine?
N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine has a molecular weight of 338.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-5-[6-(3-methylanilino)-2-pyridinyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 53311489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).