N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H25N3O4 — CID 90717396

IUPACN-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(C2=CC=CC(C34CC3CN(C(C)=O)C4)C=C2)C(=O)O1
InChIInChI=1S/C20H25N3O4/c1-13(24)21-9-18-11-23(19(26)27-18)17-5-3-4-15(6-7-17)20-8-16(20)10-22(12-20)14(2)25/h3-7,15-16,18H,8-12H2,1-2H3,(H,21,24)
InChIKeyNEKJMXFAYHIVKW-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.44
Rot. Bonds4

About N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 90717396) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID90717396
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(C2=CC=CC(C34CC3CN(C(C)=O)C4)C=C2)C(=O)O1
InChIInChI=1S/C20H25N3O4/c1-13(24)21-9-18-11-23(19(26)27-18)17-5-3-4-15(6-7-17)20-8-16(20)10-22(12-20)14(2)25/h3-7,15-16,18H,8-12H2,1-2H3,(H,21,24)
InChIKeyNEKJMXFAYHIVKW-UHFFFAOYSA-N
XLogP1.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[4-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 75305852
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21158002
N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11739921
N-[[3-[4-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67981345
methyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 67509762
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[3-(2-acetyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10154607
N-[[3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 75095689

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 90717396) is N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(C2=CC=CC(C34CC3CN(C(C)=O)C4)C=C2)C(=O)O1.
What is the InChIKey of N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is NEKJMXFAYHIVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(24)21-9-18-11-23(19(26)27-18)17-5-3-4-15(6-7-17)20-8-16(20)10-22(12-20)14(2)25/h3-7,15-16,18H,8-12H2,1-2H3,(H,21,24).
What are the key properties of N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohepta-1,3,6-trien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 90717396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).