[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone

C18H16ClN5O2 — CID 121187368

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone (PubChem CID 121187368) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
• PubChem CID: 121187368
• Molecular Formula: C18H16ClN5O2
• Molecular Weight: 369.81 g/mol
• Exact Mass: 369.10
• IUPAC Name: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
• SMILES: Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(Nc2ncccn2)C1
• InChI: InChI=1S/C18H16ClN5O2/c1-11-15(16(23-26-11)13-5-2-3-6-14(13)19)17(25)24-9-12(10-24)22-18-20-7-4-8-21-18/h2-8,12H,9-10H2,1H3,(H,20,21,22)
• InChIKey: SOSXYXSCJVQIMR-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.81
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?

The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone (CID 121187368) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone.

What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?

The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(Nc2ncccn2)C1.

What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?

The InChIKey is SOSXYXSCJVQIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-11-15(16(23-26-11)13-5-2-3-6-14(13)19)17(25)24-9-12(10-24)22-18-20-7-4-8-21-18/h2-8,12H,9-10H2,1H3,(H,20,21,22).

What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone has a molecular weight of 369.81 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 121187368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).