5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide

C20H26FN5O5 — CID 76699358

IUPAC5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide
SMILESCC(=O)NCC1CN(c2ccc(N3CCON(C(=O)NC4CC4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H26FN5O5/c1-13(27)22-11-16-12-25(20(29)31-16)15-4-5-18(17(21)10-15)24-6-7-26(30-9-8-24)19(28)23-14-2-3-14/h4-5,10,14,16H,2-3,6-9,11-12H2,1H3,(H,22,27)(H,23,28)
InChIKeyUWJAEUSAZGZDLL-UHFFFAOYSA-N
MW435.46 g/mol
LogP1.21
Rot. Bonds5

About 5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide

5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide (PubChem CID 76699358) has the molecular formula C20H26FN5O5 and a molecular weight of 435.46 g/mol. Its IUPAC name is 5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide.

Molecular Properties

Compound Name5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide
PubChem CID76699358
Molecular FormulaC20H26FN5O5
Molecular Weight435.46 g/mol
Exact Mass435.19
IUPAC Name5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide
SMILESCC(=O)NCC1CN(c2ccc(N3CCON(C(=O)NC4CC4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H26FN5O5/c1-13(27)22-11-16-12-25(20(29)31-16)15-4-5-18(17(21)10-15)24-6-7-26(30-9-8-24)19(28)23-14-2-3-14/h4-5,10,14,16H,2-3,6-9,11-12H2,1H3,(H,22,27)(H,23,28)
InChIKeyUWJAEUSAZGZDLL-UHFFFAOYSA-N
XLogP1.21
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(2-phenylacetyl)-1,2,5-oxadiazepan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
CID 161140432
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-[3-fluoro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462598
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-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[3-fluoro-4-[4-(5-oxo-4H-imidazol-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 154442906
N-[[3-[3-fluoro-4-(1,5-thiazocan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 126483722
N-[[(5S)-3-[3-fluoro-4-(2,2,6,6-tetradeuteriomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
CID 158186766
N-cyclopropyl-5-[2,6-difluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-1,2,5-oxadiazepane-2-carboxamide
CID 159158800

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide?
The IUPAC name of 5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide (CID 76699358) is 5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide.
What is the SMILES notation for 5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide?
The canonical SMILES for 5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide is CC(=O)NCC1CN(c2ccc(N3CCON(C(=O)NC4CC4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide?
The InChIKey is UWJAEUSAZGZDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O5/c1-13(27)22-11-16-12-25(20(29)31-16)15-4-5-18(17(21)10-15)24-6-7-26(30-9-8-24)19(28)23-14-2-3-14/h4-5,10,14,16H,2-3,6-9,11-12H2,1H3,(H,22,27)(H,23,28).
What are the key properties of 5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide?
5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopropyl-1,2,5-oxadiazepane-2-carboxamide is sourced from PubChem (CID 76699358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).