5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole

C20H24FN5O2 — CID 129476423

About 5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole

5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole (PubChem CID 129476423) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
• PubChem CID: 129476423
• Molecular Formula: C20H24FN5O2
• Molecular Weight: 385.44 g/mol
• Exact Mass: 385.19
• IUPAC Name: 5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
• SMILES: Fc1ccc2oc(N3CCC[C@H](c4[nH]ncc4CN4CCOCC4)C3)nc2c1
• InChI: InChI=1S/C20H24FN5O2/c21-16-3-4-18-17(10-16)23-20(28-18)26-5-1-2-14(13-26)19-15(11-22-24-19)12-25-6-8-27-9-7-25/h3-4,10-11,14H,1-2,5-9,12-13H2,(H,22,24)/t14-/m0/s1
• InChIKey: VUFRROSIZYNTHZ-AWEZNQCLSA-N
• XLogP: 2.91
• TPSA: 70.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.44
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole?

The IUPAC name of 5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole (CID 129476423) is 5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole.

What is the SMILES notation for 5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole?

The canonical SMILES for 5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole is Fc1ccc2oc(N3CCC[C@H](c4[nH]ncc4CN4CCOCC4)C3)nc2c1.

What is the InChIKey of 5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole?

The InChIKey is VUFRROSIZYNTHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-16-3-4-18-17(10-16)23-20(28-18)26-5-1-2-14(13-26)19-15(11-22-24-19)12-25-6-8-27-9-7-25/h3-4,10-11,14H,1-2,5-9,12-13H2,(H,22,24)/t14-/m0/s1.

What are the key properties of 5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole?

5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole has a molecular weight of 385.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 129476423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).