1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea

C25H33F3N6O3 — CID 58428487

About 1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea

1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea (PubChem CID 58428487) has the molecular formula C25H33F3N6O3 and a molecular weight of 522.57 g/mol. Its IUPAC name is 1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea
• PubChem CID: 58428487
• Molecular Formula: C25H33F3N6O3
• Molecular Weight: 522.57 g/mol
• Exact Mass: 522.26
• IUPAC Name: 1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea
• SMILES: CC(C)NC(=O)NC1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1
• InChI: InChI=1S/C25H33F3N6O3/c1-16(2)30-23(36)31-18-8-12-33(13-9-18)20-7-6-17(15-29-20)14-19(35)21-22(25(26,27)28)32-24(37-21)34-10-4-3-5-11-34/h6-7,15-16,18H,3-5,8-14H2,1-2H3,(H2,30,31,36)
• InChIKey: HZCXTRZOXNFWNQ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 103.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.57
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea?

The IUPAC name of 1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea (CID 58428487) is 1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea.

What is the SMILES notation for 1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea?

The canonical SMILES for 1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1.

What is the InChIKey of 1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea?

The InChIKey is HZCXTRZOXNFWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N6O3/c1-16(2)30-23(36)31-18-8-12-33(13-9-18)20-7-6-17(15-29-20)14-19(35)21-22(25(26,27)28)32-24(37-21)34-10-4-3-5-11-34/h6-7,15-16,18H,3-5,8-14H2,1-2H3,(H2,30,31,36).

What are the key properties of 1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea?

1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea has a molecular weight of 522.57 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 58428487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).