4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole

C15H19N3OS — CID 102682109

IUPAC4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2nc(CN3CC4CCCNC4C3)co2)c1
InChIInChI=1S/C15H19N3OS/c1-3-11-7-18(9-13(11)16-5-1)8-12-10-19-15(17-12)14-4-2-6-20-14/h2,4,6,10-11,13,16H,1,3,5,7-9H2
InChIKeyPIHUOKZNLAOPSG-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.59
Rot. Bonds3

About 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole

4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole (PubChem CID 102682109) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
PubChem CID102682109
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2nc(CN3CC4CCCNC4C3)co2)c1
InChIInChI=1S/C15H19N3OS/c1-3-11-7-18(9-13(11)16-5-1)8-12-10-19-15(17-12)14-4-2-6-20-14/h2,4,6,10-11,13,16H,1,3,5,7-9H2
InChIKeyPIHUOKZNLAOPSG-UHFFFAOYSA-N
XLogP2.59
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-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

1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 61295934
3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 81458720
6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682282
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356
4-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 66244635
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920709
N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 119926543
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
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 11356376
(2S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119910746
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;dihydrochloride
CID 44890942
4-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 47064449

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole (CID 102682109) is 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole is c1csc(-c2nc(CN3CC4CCCNC4C3)co2)c1.
What is the InChIKey of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is PIHUOKZNLAOPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-11-7-18(9-13(11)16-5-1)8-12-10-19-15(17-12)14-4-2-6-20-14/h2,4,6,10-11,13,16H,1,3,5,7-9H2.
What are the key properties of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole?
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 289.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 102682109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).