3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one

C14H22ClN3O2 — CID 119395228

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCCN(C(=O)CCc2c(C)noc2Cl)C1
InChIInChI=1S/C14H22ClN3O2/c1-10-12(14(15)20-17-10)5-6-13(19)18-7-3-4-11(9-18)8-16-2/h11,16H,3-9H2,1-2H3
InChIKeyRJAAWPTXPOEZAR-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.03
Rot. Bonds5

About 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 119395228) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID119395228
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCCN(C(=O)CCc2c(C)noc2Cl)C1
InChIInChI=1S/C14H22ClN3O2/c1-10-12(14(15)20-17-10)5-6-13(19)18-7-3-4-11(9-18)8-16-2/h11,16H,3-9H2,1-2H3
InChIKeyRJAAWPTXPOEZAR-UHFFFAOYSA-N
XLogP2.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one
CID 119409653
N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide
CID 119479646
1-[3-(methylaminomethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 107024102
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 124687726
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119397351
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758842
4-(3,4-dichlorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119397212
N-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 75462370
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119396415
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62048304
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one (CID 119395228) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one is CNCC1CCCN(C(=O)CCc2c(C)noc2Cl)C1.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is RJAAWPTXPOEZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-10-12(14(15)20-17-10)5-6-13(19)18-7-3-4-11(9-18)8-16-2/h11,16H,3-9H2,1-2H3.
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 299.80 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119395228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).