N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane

C37H48F2N14O6 — CID 158968580

About N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane

N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane (PubChem CID 158968580) has the molecular formula C37H48F2N14O6 and a molecular weight of 822.88 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
• PubChem CID: 158968580
• Molecular Formula: C37H48F2N14O6
• Molecular Weight: 822.88 g/mol
• Exact Mass: 822.38
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
• SMILES: C.CC(=O)NC[C@H]1CN(c2ccc(N3CCC(n4cnnn4)CC3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(N3CCC(n4ncnn4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/2C18H22FN7O3.CH4/c1-12(27)20-9-15-10-25(18(28)29-15)14-2-3-17(16(19)8-14)24-6-4-13(5-7-24)26-11-21-22-23-26;1-12(27)20-9-15-10-25(18(28)29-15)14-2-3-17(16(19)8-14)24-6-4-13(5-7-24)26-22-11-21-23-26;/h2*2-3,8,11,13,15H,4-7,9-10H2,1H3,(H,20,27);1H4/t2*15-;/m00./s1
• InChIKey: JNNDLYHTCXARDP-ZFQYHYQMSA-N
• XLogP: 2.87
• TPSA: 210.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.88
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane (CID 158968580) is N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane is C.CC(=O)NC[C@H]1CN(c2ccc(N3CCC(n4cnnn4)CC3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(N3CCC(n4ncnn4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane?

The InChIKey is JNNDLYHTCXARDP-ZFQYHYQMSA-N. The full InChI is InChI=1S/2C18H22FN7O3.CH4/c1-12(27)20-9-15-10-25(18(28)29-15)14-2-3-17(16(19)8-14)24-6-4-13(5-7-24)26-11-21-22-23-26;1-12(27)20-9-15-10-25(18(28)29-15)14-2-3-17(16(19)8-14)24-6-4-13(5-7-24)26-22-11-21-23-26;/h2*2-3,8,11,13,15H,4-7,9-10H2,1H3,(H,20,27);1H4/t2*15-;/m00./s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane?

N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane has a molecular weight of 822.88 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane is sourced from PubChem (CID 158968580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).