4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine

C17H17ClN4O2 — CID 16745456

IUPAC4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
SMILESCOCCNc1nc(C)cc(-c2cc(-c3ccc(Cl)cc3)on2)n1
InChIInChI=1S/C17H17ClN4O2/c1-11-9-14(21-17(20-11)19-7-8-23-2)15-10-16(24-22-15)12-3-5-13(18)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyAKHCVIGDACHSTJ-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.82
Rot. Bonds6

About 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine

4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine (PubChem CID 16745456) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
PubChem CID16745456
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
SMILESCOCCNc1nc(C)cc(-c2cc(-c3ccc(Cl)cc3)on2)n1
InChIInChI=1S/C17H17ClN4O2/c1-11-9-14(21-17(20-11)19-7-8-23-2)15-10-16(24-22-15)12-3-5-13(18)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyAKHCVIGDACHSTJ-UHFFFAOYSA-N
XLogP3.82
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine (CID 16745456) is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine is COCCNc1nc(C)cc(-c2cc(-c3ccc(Cl)cc3)on2)n1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine?
The InChIKey is AKHCVIGDACHSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-11-9-14(21-17(20-11)19-7-8-23-2)15-10-16(24-22-15)12-3-5-13(18)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine?
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine has a molecular weight of 344.80 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 16745456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).