4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid

C16H16N2O5S — CID 91783137

IUPAC4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid
SMILESO=C(O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cscn2)cc1
InChIInChI=1S/C16H16N2O5S/c19-15(13-8-24-9-17-13)18-12-7-22-6-5-14(12)23-11-3-1-10(2-4-11)16(20)21/h1-4,8-9,12,14H,5-7H2,(H,18,19)(H,20,21)/t12-,14-/m1/s1
InChIKeyZKNWIKGOBIXWDB-TZMCWYRMSA-N
MW348.38 g/mol
LogP1.81
Rot. Bonds5

About 4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid

4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid (PubChem CID 91783137) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid
PubChem CID91783137
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid
SMILESO=C(O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cscn2)cc1
InChIInChI=1S/C16H16N2O5S/c19-15(13-8-24-9-17-13)18-12-7-22-6-5-14(12)23-11-3-1-10(2-4-11)16(20)21/h1-4,8-9,12,14H,5-7H2,(H,18,19)(H,20,21)/t12-,14-/m1/s1
InChIKeyZKNWIKGOBIXWDB-TZMCWYRMSA-N
XLogP1.81
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic 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

4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid
CID 91782980
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-1,3-thiazole-4-carboxamide
CID 91774050
4-[(3R,4R)-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]oxan-4-yl]oxybenzoic acid
CID 91788278
4-[(3S,4R)-4-[[4-(hydroxymethyl)pyridine-2-carbonyl]amino]oxan-3-yl]oxybenzoic acid
CID 91774592
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032
4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid
CID 91765912
4-[(3S,4R)-4-[(2-ethylpyrimidine-5-carbonyl)amino]oxan-3-yl]oxybenzoic acid
CID 91791344
4-[(3R,4R)-3-[(3-fluoro-4-pyridinyl)amino]oxan-4-yl]oxybenzoic acid
CID 91792650
4-[(3S,4R)-4-[(2,5-dimethylfuran-3-carbonyl)amino]oxan-3-yl]oxybenzoic acid
CID 91796230
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide
CID 91779085
3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
CID 91768615

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid?
The IUPAC name of 4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid (CID 91783137) is 4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid.
What is the SMILES notation for 4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid?
The canonical SMILES for 4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid is O=C(O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cscn2)cc1.
What is the InChIKey of 4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid?
The InChIKey is ZKNWIKGOBIXWDB-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H16N2O5S/c19-15(13-8-24-9-17-13)18-12-7-22-6-5-14(12)23-11-3-1-10(2-4-11)16(20)21/h1-4,8-9,12,14H,5-7H2,(H,18,19)(H,20,21)/t12-,14-/m1/s1.
What are the key properties of 4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid?
4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid has a molecular weight of 348.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid is sourced from PubChem (CID 91783137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).