6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid

C24H23N5O5S — CID 167829302

IUPAC6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1Cn1cc(COCC(=O)N2CCc3cc(C(=O)O)sc3C2)nn1
InChIInChI=1S/C24H23N5O5S/c1-15-19(25-23(34-15)16-5-3-2-4-6-16)11-29-10-18(26-27-29)13-33-14-22(30)28-8-7-17-9-20(24(31)32)35-21(17)12-28/h2-6,9-10H,7-8,11-14H2,1H3,(H,31,32)
InChIKeyVKCOIEJFJLAGJW-UHFFFAOYSA-N
MW493.55 g/mol
LogP3.15
Rot. Bonds8

About 6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid

6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 167829302) has the molecular formula C24H23N5O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is 6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID167829302
Molecular FormulaC24H23N5O5S
Molecular Weight493.55 g/mol
Exact Mass493.14
IUPAC Name6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1Cn1cc(COCC(=O)N2CCc3cc(C(=O)O)sc3C2)nn1
InChIInChI=1S/C24H23N5O5S/c1-15-19(25-23(34-15)16-5-3-2-4-6-16)11-29-10-18(26-27-29)13-33-14-22(30)28-8-7-17-9-20(24(31)32)35-21(17)12-28/h2-6,9-10H,7-8,11-14H2,1H3,(H,31,32)
InChIKeyVKCOIEJFJLAGJW-UHFFFAOYSA-N
XLogP3.15
TPSA123.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]ethanone;tris(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]ethanone)
CID 158772988
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110355653
1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylmethoxyethanone
CID 134034086
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
2-(4-methoxyphenyl)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 50762160
(3,5-dimethoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55598801
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide
CID 167772731
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 37314461
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27659602
1-(4-acetylpiperazin-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110647873
1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110649497

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid (CID 167829302) is 6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid is Cc1oc(-c2ccccc2)nc1Cn1cc(COCC(=O)N2CCc3cc(C(=O)O)sc3C2)nn1.
What is the InChIKey of 6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is VKCOIEJFJLAGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5S/c1-15-19(25-23(34-15)16-5-3-2-4-6-16)11-29-10-18(26-27-29)13-33-14-22(30)28-8-7-17-9-20(24(31)32)35-21(17)12-28/h2-6,9-10H,7-8,11-14H2,1H3,(H,31,32).
What are the key properties of 6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 493.55 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methoxy]acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 167829302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).