(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine

C12H21N3O — CID 95982249

IUPAC(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine
SMILESCc1noc(C)c1CCN1CCC[C@H](N)C1
InChIInChI=1S/C12H21N3O/c1-9-12(10(2)16-14-9)5-7-15-6-3-4-11(13)8-15/h11H,3-8,13H2,1-2H3/t11-/m0/s1
InChIKeyFGDGVLPOMXFIEU-NSHDSACASA-N
MW223.32 g/mol
LogP1.26
Rot. Bonds3

About (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine

(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine (PubChem CID 95982249) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine
PubChem CID95982249
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine
SMILESCc1noc(C)c1CCN1CCC[C@H](N)C1
InChIInChI=1S/C12H21N3O/c1-9-12(10(2)16-14-9)5-7-15-6-3-4-11(13)8-15/h11H,3-8,13H2,1-2H3/t11-/m0/s1
InChIKeyFGDGVLPOMXFIEU-NSHDSACASA-N
XLogP1.26
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-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-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 106421375
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 171915775
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide
CID 171913674
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925596
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 61210087
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910249
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-3-carbaldehyde
CID 62654932
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
ethyl N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 94154330
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 54593784

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine (CID 95982249) is (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine is Cc1noc(C)c1CCN1CCC[C@H](N)C1.
What is the InChIKey of (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine?
The InChIKey is FGDGVLPOMXFIEU-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-12(10(2)16-14-9)5-7-15-6-3-4-11(13)8-15/h11H,3-8,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine?
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine is sourced from PubChem (CID 95982249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).