N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide

C18H22FN3O4 — CID 91085317

IUPACN-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)CC1CN(c2ccc(C3C[C@H]4C[C@@H]3CN4)c(F)c2)C(=O)O1
InChIInChI=1S/C18H22FN3O4/c1-10(23)22(25)9-14-8-21(18(24)26-14)13-2-3-15(17(19)6-13)16-5-12-4-11(16)7-20-12/h2-3,6,11-12,14,16,20,25H,4-5,7-9H2,1H3/t11-,12-,14?,16?/m1/s1
InChIKeyMLQSPCXNNQXQRW-LGTQLRDQSA-N
MW363.39 g/mol
LogP1.85
Rot. Bonds4

About N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide

N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide (PubChem CID 91085317) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide
PubChem CID91085317
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)CC1CN(c2ccc(C3C[C@H]4C[C@@H]3CN4)c(F)c2)C(=O)O1
InChIInChI=1S/C18H22FN3O4/c1-10(23)22(25)9-14-8-21(18(24)26-14)13-2-3-15(17(19)6-13)16-5-12-4-11(16)7-20-12/h2-3,6,11-12,14,16,20,25H,4-5,7-9H2,1H3/t11-,12-,14?,16?/m1/s1
InChIKeyMLQSPCXNNQXQRW-LGTQLRDQSA-N
XLogP1.85
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide?
The IUPAC name of N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide (CID 91085317) is N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide?
The canonical SMILES for N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide is CC(=O)N(O)CC1CN(c2ccc(C3C[C@H]4C[C@@H]3CN4)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide?
The InChIKey is MLQSPCXNNQXQRW-LGTQLRDQSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-10(23)22(25)9-14-8-21(18(24)26-14)13-2-3-15(17(19)6-13)16-5-12-4-11(16)7-20-12/h2-3,6,11-12,14,16,20,25H,4-5,7-9H2,1H3/t11-,12-,14?,16?/m1/s1.
What are the key properties of N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide?
N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide has a molecular weight of 363.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxyacetamide is sourced from PubChem (CID 91085317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).