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

C21H23ClN4O — CID 16682113

IUPAC4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NC2CCCC2)n1
InChIInChI=1S/C21H23ClN4O/c1-13(2)17-11-18(25-21(24-17)23-16-5-3-4-6-16)19-12-20(27-26-19)14-7-9-15(22)10-8-14/h7-13,16H,3-6H2,1-2H3,(H,23,24,25)
InChIKeyPTVHSHMKGRXPLF-UHFFFAOYSA-N
MW382.90 g/mol
LogP5.93
Rot. Bonds5

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

4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine (PubChem CID 16682113) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine
PubChem CID16682113
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NC2CCCC2)n1
InChIInChI=1S/C21H23ClN4O/c1-13(2)17-11-18(25-21(24-17)23-16-5-3-4-6-16)19-12-20(27-26-19)14-7-9-15(22)10-8-14/h7-13,16H,3-6H2,1-2H3,(H,23,24,25)
InChIKeyPTVHSHMKGRXPLF-UHFFFAOYSA-N
XLogP5.93
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.90
LogP ≤ 55.93
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]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine (CID 16682113) is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NC2CCCC2)n1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is PTVHSHMKGRXPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-13(2)17-11-18(25-21(24-17)23-16-5-3-4-6-16)19-12-20(27-26-19)14-7-9-15(22)10-8-14/h7-13,16H,3-6H2,1-2H3,(H,23,24,25).
What are the key properties of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine?
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 382.90 g/mol, XLogP of 5.93, 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]-N-cyclopentyl-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 16682113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).