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

C19H19ClN4O — CID 16682189

IUPAC4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NC2CCCC2)n1
InChIInChI=1S/C19H19ClN4O/c1-12-10-16(23-19(21-12)22-15-4-2-3-5-15)17-11-18(25-24-17)13-6-8-14(20)9-7-13/h6-11,15H,2-5H2,1H3,(H,21,22,23)
InChIKeyCHEJMDUPMYUUIW-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.11
Rot. Bonds4

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

4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-methylpyrimidin-2-amine (PubChem CID 16682189) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-methylpyrimidin-2-amine
PubChem CID16682189
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NC2CCCC2)n1
InChIInChI=1S/C19H19ClN4O/c1-12-10-16(23-19(21-12)22-15-4-2-3-5-15)17-11-18(25-24-17)13-6-8-14(20)9-7-13/h6-11,15H,2-5H2,1H3,(H,21,22,23)
InChIKeyCHEJMDUPMYUUIW-UHFFFAOYSA-N
XLogP5.11
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.11
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-methylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-methylpyrimidin-2-amine (CID 16682189) is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-methylpyrimidin-2-amine is Cc1cc(-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-methylpyrimidin-2-amine?
The InChIKey is CHEJMDUPMYUUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-12-10-16(23-19(21-12)22-15-4-2-3-5-15)17-11-18(25-24-17)13-6-8-14(20)9-7-13/h6-11,15H,2-5H2,1H3,(H,21,22,23).
What are the key properties of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-methylpyrimidin-2-amine?
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-cyclopentyl-6-methylpyrimidin-2-amine has a molecular weight of 354.84 g/mol, XLogP of 5.11, 4 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-methylpyrimidin-2-amine is sourced from PubChem (CID 16682189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).