(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid

C16H17FN2O3 — CID 125149368

IUPAC(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C16H17FN2O3/c17-13-5-3-11(4-6-13)14-8-18-15(22-14)10-19-7-1-2-12(9-19)16(20)21/h3-6,8,12H,1-2,7,9-10H2,(H,20,21)/t12-/m1/s1
InChIKeyVKSWGLJIJGXVNA-GFCCVEGCSA-N
MW304.32 g/mol
LogP2.78
Rot. Bonds4

About (3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid

(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 125149368) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is (3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid
PubChem CID125149368
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C16H17FN2O3/c17-13-5-3-11(4-6-13)14-8-18-15(22-14)10-19-7-1-2-12(9-19)16(20)21/h3-6,8,12H,1-2,7,9-10H2,(H,20,21)/t12-/m1/s1
InChIKeyVKSWGLJIJGXVNA-GFCCVEGCSA-N
XLogP2.78
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-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

1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030493
1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid
CID 119136265
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230
4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol
CID 9027611
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
CID 48631711
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 48632204
tert-butyl 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepane-1-carboxylate
CID 78903605
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
(2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98763700
(2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95602167
1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 56778692
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid (CID 125149368) is (3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of (3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is VKSWGLJIJGXVNA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-13-5-3-11(4-6-13)14-8-18-15(22-14)10-19-7-1-2-12(9-19)16(20)21/h3-6,8,12H,1-2,7,9-10H2,(H,20,21)/t12-/m1/s1.
What are the key properties of (3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid?
(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 304.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 125149368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).