4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid

C20H23F3N6O5 — CID 123883415

IUPAC4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(Nc1ccc(N2CCN(C(=O)O)CC2)nc1)c1oc(N2CCCC(O)C2)nc1C(F)(F)F
InChIInChI=1S/C20H23F3N6O5/c21-20(22,23)16-15(34-18(26-16)29-5-1-2-13(30)11-29)17(31)25-12-3-4-14(24-10-12)27-6-8-28(9-7-27)19(32)33/h3-4,10,13,30H,1-2,5-9,11H2,(H,25,31)(H,32,33)
InChIKeyXCDAZSQZVKMSPW-UHFFFAOYSA-N
MW484.44 g/mol
LogP2.10
Rot. Bonds4

About 4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid

4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 123883415) has the molecular formula C20H23F3N6O5 and a molecular weight of 484.44 g/mol. Its IUPAC name is 4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID123883415
Molecular FormulaC20H23F3N6O5
Molecular Weight484.44 g/mol
Exact Mass484.17
IUPAC Name4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(Nc1ccc(N2CCN(C(=O)O)CC2)nc1)c1oc(N2CCCC(O)C2)nc1C(F)(F)F
InChIInChI=1S/C20H23F3N6O5/c21-20(22,23)16-15(34-18(26-16)29-5-1-2-13(30)11-29)17(31)25-12-3-4-14(24-10-12)27-6-8-28(9-7-27)19(32)33/h3-4,10,13,30H,1-2,5-9,11H2,(H,25,31)(H,32,33)
InChIKeyXCDAZSQZVKMSPW-UHFFFAOYSA-N
XLogP2.10
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-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

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid (CID 123883415) is 4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid is O=C(Nc1ccc(N2CCN(C(=O)O)CC2)nc1)c1oc(N2CCCC(O)C2)nc1C(F)(F)F.
What is the InChIKey of 4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is XCDAZSQZVKMSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O5/c21-20(22,23)16-15(34-18(26-16)29-5-1-2-13(30)11-29)17(31)25-12-3-4-14(24-10-12)27-6-8-28(9-7-27)19(32)33/h3-4,10,13,30H,1-2,5-9,11H2,(H,25,31)(H,32,33).
What are the key properties of 4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid?
4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 484.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 123883415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).