5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole

C18H16ClN3O2 — CID 158363518

IUPAC5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cnc(OC3CC(c4ccc(Cl)cc4)C3)nc2)on1
InChIInChI=1S/C18H16ClN3O2/c1-11-6-17(24-22-11)14-9-20-18(21-10-14)23-16-7-13(8-16)12-2-4-15(19)5-3-12/h2-6,9-10,13,16H,7-8H2,1H3
InChIKeyXMRAOMZGXAJOGJ-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.42
Rot. Bonds4

About 5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole

5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole (PubChem CID 158363518) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole
PubChem CID158363518
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cnc(OC3CC(c4ccc(Cl)cc4)C3)nc2)on1
InChIInChI=1S/C18H16ClN3O2/c1-11-6-17(24-22-11)14-9-20-18(21-10-14)23-16-7-13(8-16)12-2-4-15(19)5-3-12/h2-6,9-10,13,16H,7-8H2,1H3
InChIKeyXMRAOMZGXAJOGJ-UHFFFAOYSA-N
XLogP4.42
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole (CID 158363518) is 5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole is Cc1cc(-c2cnc(OC3CC(c4ccc(Cl)cc4)C3)nc2)on1.
What is the InChIKey of 5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole?
The InChIKey is XMRAOMZGXAJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-6-17(24-22-11)14-9-20-18(21-10-14)23-16-7-13(8-16)12-2-4-15(19)5-3-12/h2-6,9-10,13,16H,7-8H2,1H3.
What are the key properties of 5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole?
5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole has a molecular weight of 341.80 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(4-chlorophenyl)cyclobutyl]oxypyrimidin-5-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 158363518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).