2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole

C18H17N5OS — CID 47012868

IUPAC2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESc1csc(-c2nc(CN3CCCC3c3nnc4ccccn34)co2)c1
InChIInChI=1S/C18H17N5OS/c1-2-9-23-16(7-1)20-21-17(23)14-5-3-8-22(14)11-13-12-24-18(19-13)15-6-4-10-25-15/h1-2,4,6-7,9-10,12,14H,3,5,8,11H2
InChIKeyHWDOGFOXUOKXBL-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.78
Rot. Bonds4

About 2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole

2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 47012868) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID47012868
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESc1csc(-c2nc(CN3CCCC3c3nnc4ccccn34)co2)c1
InChIInChI=1S/C18H17N5OS/c1-2-9-23-16(7-1)20-21-17(23)14-5-3-8-22(14)11-13-12-24-18(19-13)15-6-4-10-25-15/h1-2,4,6-7,9-10,12,14H,3,5,8,11H2
InChIKeyHWDOGFOXUOKXBL-UHFFFAOYSA-N
XLogP3.78
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole 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-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 56825237
(2S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119910746
4-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 47064449
(3S)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 75479669
1-[(2S)-2-[(2R)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95758428
4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 134011279
4-[[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 95768126
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 61295934
4-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 95310535
2-(4-fluorophenyl)-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 31811934
2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 46603632
3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 81458720

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole (CID 47012868) is 2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole is c1csc(-c2nc(CN3CCCC3c3nnc4ccccn34)co2)c1.
What is the InChIKey of 2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is HWDOGFOXUOKXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-2-9-23-16(7-1)20-21-17(23)14-5-3-8-22(14)11-13-12-24-18(19-13)15-6-4-10-25-15/h1-2,4,6-7,9-10,12,14H,3,5,8,11H2.
What are the key properties of 2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 351.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 47012868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).