N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H29FN4O4 — CID 89084845

About N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 89084845) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 89084845
• Molecular Formula: C25H29FN4O4
• Molecular Weight: 468.53 g/mol
• Exact Mass: 468.22
• IUPAC Name: N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCC4C(C)=NOC4C)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H29FN4O4/c1-15-23(16(2)34-29-15)13-27-11-18-4-6-19(7-5-18)22-9-8-20(10-24(22)26)30-14-21(33-25(30)32)12-28-17(3)31/h4-10,16,21,23,27H,11-14H2,1-3H3,(H,28,31)/t16?,21-,23?/m0/s1
• InChIKey: OTXAEXSCMKLEBG-JCVMYPOKSA-N
• XLogP: 3.45
• TPSA: 92.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.53
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 89084845) is N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCC4C(C)=NOC4C)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is OTXAEXSCMKLEBG-JCVMYPOKSA-N. The full InChI is InChI=1S/C25H29FN4O4/c1-15-23(16(2)34-29-15)13-27-11-18-4-6-19(7-5-18)22-9-8-20(10-24(22)26)30-14-21(33-25(30)32)12-28-17(3)31/h4-10,16,21,23,27H,11-14H2,1-3H3,(H,28,31)/t16?,21-,23?/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 468.53 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 89084845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).