N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H24F2N8O3 — CID 68940178

About N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68940178) has the molecular formula C18H24F2N8O3 and a molecular weight of 438.44 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 68940178
• Molecular Formula: C18H24F2N8O3
• Molecular Weight: 438.44 g/mol
• Exact Mass: 438.19
• IUPAC Name: N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCC(N4NNN=C4N)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C18H24F2N8O3/c1-10(29)22-8-13-9-27(18(30)31-13)12-6-14(19)16(15(20)7-12)26-4-2-11(3-5-26)28-17(21)23-24-25-28/h6-7,11,13,24-25H,2-5,8-9H2,1H3,(H2,21,23)(H,22,29)/t13-/m0/s1
• InChIKey: TZZICJDHGDBUBL-ZDUSSCGKSA-N
• XLogP: -0.05
• TPSA: 127.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.44
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68940178) is N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCC(N4NNN=C4N)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is TZZICJDHGDBUBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24F2N8O3/c1-10(29)22-8-13-9-27(18(30)31-13)12-6-14(19)16(15(20)7-12)26-4-2-11(3-5-26)28-17(21)23-24-25-28/h6-7,11,13,24-25H,2-5,8-9H2,1H3,(H2,21,23)(H,22,29)/t13-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 438.44 g/mol, XLogP of -0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-(5-amino-2,3-dihydrotetrazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68940178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).