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

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

N-[[(5S)-3-[4-[4-[5-(acetamidomethyl)tetrazol-2-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68938285) has the molecular formula C21H26F2N8O4 and a molecular weight of 492.49 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[5-(acetamidomethyl)tetrazol-2-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-(acetamidomethyl)tetrazol-2-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID	68938285
Molecular Formula	C21H26F2N8O4
Molecular Weight	492.49 g/mol
Exact Mass	492.20
IUPAC Name	N-[[(5S)-3-[4-[4-[5-(acetamidomethyl)tetrazol-2-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES	CC(=O)NCc1nnn(C2CCN(c3c(F)cc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)CC2)n1
InChI	InChI=1S/C21H26F2N8O4/c1-12(32)24-9-16-11-30(21(34)35-16)15-7-17(22)20(18(23)8-15)29-5-3-14(4-6-29)31-27-19(26-28-31)10-25-13(2)33/h7-8,14,16H,3-6,9-11H2,1-2H3,(H,24,32)(H,25,33)/t16-/m0/s1
InChIKey	BDXUHJNLRJEBAO-INIZCTEOSA-N
XLogP	0.89
TPSA	134.58 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.49
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[5-(acetamidomethyl)tetrazol-2-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-(acetamidomethyl)tetrazol-2-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68938285) is N-[[(5S)-3-[4-[4-[5-(acetamidomethyl)tetrazol-2-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-(acetamidomethyl)tetrazol-2-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-(acetamidomethyl)tetrazol-2-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCc1nnn(C2CCN(c3c(F)cc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)CC2)n1.

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

The InChIKey is BDXUHJNLRJEBAO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26F2N8O4/c1-12(32)24-9-16-11-30(21(34)35-16)15-7-17(22)20(18(23)8-15)29-5-3-14(4-6-29)31-27-19(26-28-31)10-25-13(2)33/h7-8,14,16H,3-6,9-11H2,1-2H3,(H,24,32)(H,25,33)/t16-/m0/s1.

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

N-[[(5S)-3-[4-[4-[5-(acetamidomethyl)tetrazol-2-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 492.49 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-[5-(acetamidomethyl)tetrazol-2-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68938285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).