2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide

C18H23FN8O3 — CID 67664619

IUPAC2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide
SMILESCN(C(=O)CN1CCN(c2nnnn2C)C(F)C1)C1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C18H23FN8O3/c1-23(16-12-27(18(29)30-16)13-6-4-3-5-7-13)15(28)11-25-8-9-26(14(19)10-25)17-20-21-22-24(17)2/h3-7,14,16H,8-12H2,1-2H3
InChIKeyDVYKDEHLRKMRPR-UHFFFAOYSA-N
MW418.43 g/mol
LogP0.07
Rot. Bonds5

About 2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide

2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide (PubChem CID 67664619) has the molecular formula C18H23FN8O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide
PubChem CID67664619
Molecular FormulaC18H23FN8O3
Molecular Weight418.43 g/mol
Exact Mass418.19
IUPAC Name2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide
SMILESCN(C(=O)CN1CCN(c2nnnn2C)C(F)C1)C1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C18H23FN8O3/c1-23(16-12-27(18(29)30-16)13-6-4-3-5-7-13)15(28)11-25-8-9-26(14(19)10-25)17-20-21-22-24(17)2/h3-7,14,16H,8-12H2,1-2H3
InChIKeyDVYKDEHLRKMRPR-UHFFFAOYSA-N
XLogP0.07
TPSA99.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide 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 2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide?
The IUPAC name of 2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide (CID 67664619) is 2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide.
What is the SMILES notation for 2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide?
The canonical SMILES for 2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide is CN(C(=O)CN1CCN(c2nnnn2C)C(F)C1)C1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of 2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide?
The InChIKey is DVYKDEHLRKMRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN8O3/c1-23(16-12-27(18(29)30-16)13-6-4-3-5-7-13)15(28)11-25-8-9-26(14(19)10-25)17-20-21-22-24(17)2/h3-7,14,16H,8-12H2,1-2H3.
What are the key properties of 2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide?
2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide has a molecular weight of 418.43 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(1-methyltetrazol-5-yl)piperazin-1-yl]-N-methyl-N-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)acetamide is sourced from PubChem (CID 67664619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).