3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine

C15H21N3OS — CID 81458720

IUPAC3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2coc(-c3cccs3)n2)CCC1N
InChIInChI=1S/C15H21N3OS/c1-2-11-8-18(6-5-13(11)16)9-12-10-19-15(17-12)14-4-3-7-20-14/h3-4,7,10-11,13H,2,5-6,8-9,16H2,1H3
InChIKeyWPDIDABUUWTXNV-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.96
Rot. Bonds4

About 3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine

3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine (PubChem CID 81458720) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
PubChem CID81458720
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2coc(-c3cccs3)n2)CCC1N
InChIInChI=1S/C15H21N3OS/c1-2-11-8-18(6-5-13(11)16)9-12-10-19-15(17-12)14-4-3-7-20-14/h3-4,7,10-11,13H,2,5-6,8-9,16H2,1H3
InChIKeyWPDIDABUUWTXNV-UHFFFAOYSA-N
XLogP2.96
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine 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
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-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 9116647
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356
(2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 95277466
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
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
3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine
CID 81459742
(2S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119910746
3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 79868555
1-[(2S)-2-[(2R)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95758428

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine (CID 81458720) is 3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine is CCC1CN(Cc2coc(-c3cccs3)n2)CCC1N.
What is the InChIKey of 3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is WPDIDABUUWTXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-11-8-18(6-5-13(11)16)9-12-10-19-15(17-12)14-4-3-7-20-14/h3-4,7,10-11,13H,2,5-6,8-9,16H2,1H3.
What are the key properties of 3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 81458720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).