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

C17H17ClN4O — CID 16682032

IUPAC4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(-c2cc(-c3ccc(Cl)cc3)on2)n1
InChIInChI=1S/C17H17ClN4O/c1-3-8-19-17-20-11(2)9-14(21-17)15-10-16(23-22-15)12-4-6-13(18)7-5-12/h4-7,9-10H,3,8H2,1-2H3,(H,19,20,21)
InChIKeyLXNBWEUPGLHHTO-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.58
Rot. Bonds5

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

4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 16682032) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine
PubChem CID16682032
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(-c2cc(-c3ccc(Cl)cc3)on2)n1
InChIInChI=1S/C17H17ClN4O/c1-3-8-19-17-20-11(2)9-14(21-17)15-10-16(23-22-15)12-4-6-13(18)7-5-12/h4-7,9-10H,3,8H2,1-2H3,(H,19,20,21)
InChIKeyLXNBWEUPGLHHTO-UHFFFAOYSA-N
XLogP4.58
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine (CID 16682032) is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(-c2cc(-c3ccc(Cl)cc3)on2)n1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is LXNBWEUPGLHHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-3-8-19-17-20-11(2)9-14(21-17)15-10-16(23-22-15)12-4-6-13(18)7-5-12/h4-7,9-10H,3,8H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine?
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 328.80 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 16682032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).