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

C17H18ClN5O2 — CID 71249145

IUPAC5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine
SMILESCOCCN(C)c1ncc(-c2cccc(Nc3ccc(Cl)cn3)n2)o1
InChIInChI=1S/C17H18ClN5O2/c1-23(8-9-24-2)17-20-11-14(25-17)13-4-3-5-16(21-13)22-15-7-6-12(18)10-19-15/h3-7,10-11H,8-9H2,1-2H3,(H,19,21,22)
InChIKeyWZKDIXWSXQDYBI-UHFFFAOYSA-N
MW359.82 g/mol
LogP3.61
Rot. Bonds7

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

5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine (PubChem CID 71249145) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine
PubChem CID71249145
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine
SMILESCOCCN(C)c1ncc(-c2cccc(Nc3ccc(Cl)cn3)n2)o1
InChIInChI=1S/C17H18ClN5O2/c1-23(8-9-24-2)17-20-11-14(25-17)13-4-3-5-16(21-13)22-15-7-6-12(18)10-19-15/h3-7,10-11H,8-9H2,1-2H3,(H,19,21,22)
InChIKeyWZKDIXWSXQDYBI-UHFFFAOYSA-N
XLogP3.61
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine (CID 71249145) is 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine is COCCN(C)c1ncc(-c2cccc(Nc3ccc(Cl)cn3)n2)o1.
What is the InChIKey of 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine?
The InChIKey is WZKDIXWSXQDYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-23(8-9-24-2)17-20-11-14(25-17)13-4-3-5-16(21-13)22-15-7-6-12(18)10-19-15/h3-7,10-11H,8-9H2,1-2H3,(H,19,21,22).
What are the key properties of 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine?
5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine has a molecular weight of 359.82 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 71249145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).