2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole

C9H16N2O — CID 139565404

IUPAC2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1CC[C@@H](C2=NCCO2)CN1
InChIInChI=1S/C9H16N2O/c1-7-2-3-8(6-11-7)9-10-4-5-12-9/h7-8,11H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyRMOYMTMHHYPDPA-HTQZYQBOSA-N
MW168.24 g/mol
LogP0.80
Rot. Bonds1

About 2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole

2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 139565404) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole
PubChem CID139565404
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1CC[C@@H](C2=NCCO2)CN1
InChIInChI=1S/C9H16N2O/c1-7-2-3-8(6-11-7)9-10-4-5-12-9/h7-8,11H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyRMOYMTMHHYPDPA-HTQZYQBOSA-N
XLogP0.80
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-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

2-(6-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole
CID 123605051
(2R,5S)-2-methyl-5-phenylpiperidine
CID 95374662
2-methyl-5-(2,4,5-trimethylphenyl)piperidine
CID 64985243
2-methyl-5-(3-methyltriazol-4-yl)piperidine
CID 106781256
2-cyclohexyl-4,5-dihydro-1,3-oxazole;2-octadec-9-enyl-4,5-dihydro-1,3-oxazole
CID 67259453
2-methyl-5-(2,4,5-trifluorophenyl)piperidine
CID 115503199
4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one
CID 68803223
5,6-difluoro-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-benzoxazole
CID 90121791
5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 77183129
2,5-dimethylpiperidine;hydrochloride
CID 55286237
(2S,5S)-2,5-dimethyl-1,4-oxazepane
CID 171424392
methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate
CID 123527140

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole (CID 139565404) is 2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole is C[C@@H]1CC[C@@H](C2=NCCO2)CN1.
What is the InChIKey of 2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RMOYMTMHHYPDPA-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-2-3-8(6-11-7)9-10-4-5-12-9/h7-8,11H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of 2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole?
2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 168.24 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,6R)-6-methylpiperidin-3-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139565404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).