1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one

C26H32N4O2 — CID 95850476

About 1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one

1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 95850476) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
• PubChem CID: 95850476
• Molecular Formula: C26H32N4O2
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.25
• IUPAC Name: 1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
• SMILES: CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1
• InChI: InChI=1S/C26H32N4O2/c1-4-10-23-27-17-21(26-18(2)19(3)29-32-26)25(28-23)22-13-8-9-16-30(22)24(31)15-14-20-11-6-5-7-12-20/h5-7,11-12,17,22H,4,8-10,13-16H2,1-3H3/t22-/m0/s1
• InChIKey: OUWBZSVOFYFWGT-QFIPXVFZSA-N
• XLogP: 5.39
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one?

The IUPAC name of 1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one (CID 95850476) is 1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one.

What is the SMILES notation for 1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one?

The canonical SMILES for 1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one is CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1.

What is the InChIKey of 1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one?

The InChIKey is OUWBZSVOFYFWGT-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-10-23-27-17-21(26-18(2)19(3)29-32-26)25(28-23)22-13-8-9-16-30(22)24(31)15-14-20-11-6-5-7-12-20/h5-7,11-12,17,22H,4,8-10,13-16H2,1-3H3/t22-/m0/s1.

What are the key properties of 1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one?

1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 432.57 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 95850476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).