(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone

C12H19N3O2 — CID 124574481

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2oc(C)nc2C)C1
InChIInChI=1S/C12H19N3O2/c1-8-11(17-9(2)14-8)12(16)15-6-4-5-10(7-15)13-3/h10,13H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyCQCHPPQTOYLZOV-SNVBAGLBSA-N
MW237.30 g/mol
LogP1.12
Rot. Bonds2

About (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 124574481) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID124574481
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2oc(C)nc2C)C1
InChIInChI=1S/C12H19N3O2/c1-8-11(17-9(2)14-8)12(16)15-6-4-5-10(7-15)13-3/h10,13H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyCQCHPPQTOYLZOV-SNVBAGLBSA-N
XLogP1.12
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 81478360
2-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 81450618
[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 70774249
N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119481606
1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 110684804
[3-(2-bromoethyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 114801438
[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62536372
[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818395
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 81484912
1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81367808
(2S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 81454302
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 97268972

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone (CID 124574481) is (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone is CN[C@@H]1CCCN(C(=O)c2oc(C)nc2C)C1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is CQCHPPQTOYLZOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-11(17-9(2)14-8)12(16)15-6-4-5-10(7-15)13-3/h10,13H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 237.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 124574481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).