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

C18H24FN7O2 — CID 163515816

IUPACN-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCC(n4ncnn4)CC3)c(F)c2)CO1
InChIInChI=1S/C18H24FN7O2/c1-13(27)20-9-16-10-25(12-28-16)15-2-3-18(17(19)8-15)24-6-4-14(5-7-24)26-22-11-21-23-26/h2-3,8,11,14,16H,4-7,9-10,12H2,1H3,(H,20,27)/t16-/m0/s1
InChIKeyDGQFNFCLIPYDOW-INIZCTEOSA-N
MW389.44 g/mol
LogP0.95
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 163515816) has the molecular formula C18H24FN7O2 and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID163515816
Molecular FormulaC18H24FN7O2
Molecular Weight389.44 g/mol
Exact Mass389.20
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCC(n4ncnn4)CC3)c(F)c2)CO1
InChIInChI=1S/C18H24FN7O2/c1-13(27)20-9-16-10-25(12-28-16)15-2-3-18(17(19)8-15)24-6-4-14(5-7-24)26-22-11-21-23-26/h2-3,8,11,14,16H,4-7,9-10,12H2,1H3,(H,20,27)/t16-/m0/s1
InChIKeyDGQFNFCLIPYDOW-INIZCTEOSA-N
XLogP0.95
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
N-[[(5S)-3-[3-fluoro-4-[2-(pyridine-4-carbonyl)-1,2,5-oxadiazepan-5-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 89217994
N-[[3-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68941235
N-[[3-[3-fluoro-4-[4-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68936740
N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68773740
N-[[3-[3-fluoro-4-[4-[4-(fluoromethyl)triazol-1-yl]piperidin-1-yl]phenyl]-2-methylidene-1,3-oxazolidin-5-yl]methyl]acetamide
CID 143415409
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21473386
N-[[3-[4-[4-(benzotriazol-2-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68939949
N-[[3-[3-fluoro-4-[4-(1,2,4-triazol-4-ylimino)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22913066
ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-propan-2-ylidene-1,3-oxazolidin-5-yl]methyl]acetamide
CID 143554302
N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11697211

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 163515816) is N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCC(n4ncnn4)CC3)c(F)c2)CO1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is DGQFNFCLIPYDOW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24FN7O2/c1-13(27)20-9-16-10-25(12-28-16)15-2-3-18(17(19)8-15)24-6-4-14(5-7-24)26-22-11-21-23-26/h2-3,8,11,14,16H,4-7,9-10,12H2,1H3,(H,20,27)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 389.44 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 163515816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).