2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid

C9H10FN3O4 — CID 89049343

IUPAC2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=N[C@H]1CCN(c2nc(C(=O)O)co2)C[C@H]1F
InChIInChI=1S/C9H10FN3O4/c10-5-3-13(2-1-6(5)12-16)9-11-7(4-17-9)8(14)15/h4-6H,1-3H2,(H,14,15)/t5-,6+/m1/s1
InChIKeyGEHVCIQILICZTA-RITPCOANSA-N
MW243.19 g/mol
LogP1.06
Rot. Bonds3

About 2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid

2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 89049343) has the molecular formula C9H10FN3O4 and a molecular weight of 243.19 g/mol. Its IUPAC name is 2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID89049343
Molecular FormulaC9H10FN3O4
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=N[C@H]1CCN(c2nc(C(=O)O)co2)C[C@H]1F
InChIInChI=1S/C9H10FN3O4/c10-5-3-13(2-1-6(5)12-16)9-11-7(4-17-9)8(14)15/h4-6H,1-3H2,(H,14,15)/t5-,6+/m1/s1
InChIKeyGEHVCIQILICZTA-RITPCOANSA-N
XLogP1.06
TPSA96.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 2-(4-hydroxy-1,4'-bipiperidin-1'-yl)-1,3-oxazole-4-carboxylate
CID 70704972
2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 70845898
2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 70845900
2-(4-Fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 70845901
2-(3,3-Difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 70955000
Ethyl 2-(3,3-difluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate
CID 90291471
Ethyl 2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylate
CID 90291522
ethyl 2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 90291561
2-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 104113715
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 104113721
2-[Propyl(2,2,2-trifluoroethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 104113723
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 104113724

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid (CID 89049343) is 2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid is O=N[C@H]1CCN(c2nc(C(=O)O)co2)C[C@H]1F.
What is the InChIKey of 2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is GEHVCIQILICZTA-RITPCOANSA-N. The full InChI is InChI=1S/C9H10FN3O4/c10-5-3-13(2-1-6(5)12-16)9-11-7(4-17-9)8(14)15/h4-6H,1-3H2,(H,14,15)/t5-,6+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 243.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-fluoro-4-nitrosopiperidin-1-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 89049343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).