3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride

C16H28ClN3O3 — CID 120887952

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
SMILESCOCC1(CNC(=O)CCc2c(C)noc2C)CCNCC1.Cl
InChIInChI=1S/C16H27N3O3.ClH/c1-12-14(13(2)22-19-12)4-5-15(20)18-10-16(11-21-3)6-8-17-9-7-16;/h17H,4-11H2,1-3H3,(H,18,20);1H
InChIKeyXTSAOTANGUQVPZ-UHFFFAOYSA-N
MW345.87 g/mol
LogP1.78
Rot. Bonds7

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride (PubChem CID 120887952) has the molecular formula C16H28ClN3O3 and a molecular weight of 345.87 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
PubChem CID120887952
Molecular FormulaC16H28ClN3O3
Molecular Weight345.87 g/mol
Exact Mass345.18
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
SMILESCOCC1(CNC(=O)CCc2c(C)noc2C)CCNCC1.Cl
InChIInChI=1S/C16H27N3O3.ClH/c1-12-14(13(2)22-19-12)4-5-15(20)18-10-16(11-21-3)6-8-17-9-7-16;/h17H,4-11H2,1-3H3,(H,18,20);1H
InChIKeyXTSAOTANGUQVPZ-UHFFFAOYSA-N
XLogP1.78
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891385
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 120890310
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544348
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120896778
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
3-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120888133
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120888736
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 86985319
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypropanamide;hydrochloride
CID 120891438
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120889609
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877466

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride (CID 120887952) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride is COCC1(CNC(=O)CCc2c(C)noc2C)CCNCC1.Cl.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The InChIKey is XTSAOTANGUQVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3.ClH/c1-12-14(13(2)22-19-12)4-5-15(20)18-10-16(11-21-3)6-8-17-9-7-16;/h17H,4-11H2,1-3H3,(H,18,20);1H.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120887952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).