3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid

C22H24N4O4 — CID 168861462

IUPAC3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid
SMILESCC(C)c1ccc([C@](O)(c2cncc(-c3ncon3)c2)C2(C)CN(C(=O)O)C2)cc1
InChIInChI=1S/C22H24N4O4/c1-14(2)15-4-6-17(7-5-15)22(29,21(3)11-26(12-21)20(27)28)18-8-16(9-23-10-18)19-24-13-30-25-19/h4-10,13-14,29H,11-12H2,1-3H3,(H,27,28)/t22-/m0/s1
InChIKeyPQWVFMFNAXVLBI-QFIPXVFZSA-N
MW408.46 g/mol
LogP3.49
Rot. Bonds5

About 3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid

3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid (PubChem CID 168861462) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid
PubChem CID168861462
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid
SMILESCC(C)c1ccc([C@](O)(c2cncc(-c3ncon3)c2)C2(C)CN(C(=O)O)C2)cc1
InChIInChI=1S/C22H24N4O4/c1-14(2)15-4-6-17(7-5-15)22(29,21(3)11-26(12-21)20(27)28)18-8-16(9-23-10-18)19-24-13-30-25-19/h4-10,13-14,29H,11-12H2,1-3H3,(H,27,28)/t22-/m0/s1
InChIKeyPQWVFMFNAXVLBI-QFIPXVFZSA-N
XLogP3.49
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-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 3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid?
The IUPAC name of 3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid (CID 168861462) is 3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid.
What is the SMILES notation for 3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid?
The canonical SMILES for 3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid is CC(C)c1ccc([C@](O)(c2cncc(-c3ncon3)c2)C2(C)CN(C(=O)O)C2)cc1.
What is the InChIKey of 3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid?
The InChIKey is PQWVFMFNAXVLBI-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14(2)15-4-6-17(7-5-15)22(29,21(3)11-26(12-21)20(27)28)18-8-16(9-23-10-18)19-24-13-30-25-19/h4-10,13-14,29H,11-12H2,1-3H3,(H,27,28)/t22-/m0/s1.
What are the key properties of 3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid?
3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid has a molecular weight of 408.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid is sourced from PubChem (CID 168861462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).