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

C19H21ClN4O — CID 16682131

IUPAC4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(-c2cc(-c3ccc(Cl)cc3)on2)cc(C(C)C)n1
InChIInChI=1S/C19H21ClN4O/c1-4-9-21-19-22-15(12(2)3)10-16(23-19)17-11-18(25-24-17)13-5-7-14(20)8-6-13/h5-8,10-12H,4,9H2,1-3H3,(H,21,22,23)
InChIKeyYABDWOJOPSYVJX-UHFFFAOYSA-N
MW356.86 g/mol
LogP5.40
Rot. Bonds6

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

4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine (PubChem CID 16682131) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine
PubChem CID16682131
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(-c2cc(-c3ccc(Cl)cc3)on2)cc(C(C)C)n1
InChIInChI=1S/C19H21ClN4O/c1-4-9-21-19-22-15(12(2)3)10-16(23-19)17-11-18(25-24-17)13-5-7-14(20)8-6-13/h5-8,10-12H,4,9H2,1-3H3,(H,21,22,23)
InChIKeyYABDWOJOPSYVJX-UHFFFAOYSA-N
XLogP5.40
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.86
LogP ≤ 55.40
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-propan-2-yl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine (CID 16682131) is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine is CCCNc1nc(-c2cc(-c3ccc(Cl)cc3)on2)cc(C(C)C)n1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine?
The InChIKey is YABDWOJOPSYVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-4-9-21-19-22-15(12(2)3)10-16(23-19)17-11-18(25-24-17)13-5-7-14(20)8-6-13/h5-8,10-12H,4,9H2,1-3H3,(H,21,22,23).
What are the key properties of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine?
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine has a molecular weight of 356.86 g/mol, XLogP of 5.40, 6 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-propan-2-yl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 16682131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).