N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide

C26H25FN6O5 — CID 24757613

About N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide

N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide (PubChem CID 24757613) has the molecular formula C26H25FN6O5 and a molecular weight of 520.52 g/mol. Its IUPAC name is N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide
• PubChem CID: 24757613
• Molecular Formula: C26H25FN6O5
• Molecular Weight: 520.52 g/mol
• Exact Mass: 520.19
• IUPAC Name: N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide
• SMILES: O=C(NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1)c1ccccc1O
• InChI: InChI=1S/C26H25FN6O5/c27-20-13-17(21-14-18(38-30-21)15-28-24-7-12-37-31-24)5-6-22(20)32-8-10-33(11-9-32)25(35)16-29-26(36)19-3-1-2-4-23(19)34/h1-7,12-14,34H,8-11,15-16H2,(H,28,31)(H,29,36)
• InChIKey: DDPSDGXDCNILAK-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 136.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.52
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide?

The IUPAC name of N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide (CID 24757613) is N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide.

What is the SMILES notation for N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide?

The canonical SMILES for N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide is O=C(NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1)c1ccccc1O.

What is the InChIKey of N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide?

The InChIKey is DDPSDGXDCNILAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O5/c27-20-13-17(21-14-18(38-30-21)15-28-24-7-12-37-31-24)5-6-22(20)32-8-10-33(11-9-32)25(35)16-29-26(36)19-3-1-2-4-23(19)34/h1-7,12-14,34H,8-11,15-16H2,(H,28,31)(H,29,36).

What are the key properties of N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide?

N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide has a molecular weight of 520.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-hydroxybenzamide is sourced from PubChem (CID 24757613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).