3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide

C15H27N3O3 — CID 122569135

IUPAC3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide
SMILESCC1=NOC(C)(C(=O)NCCCOC2CCN(C)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-12-11-15(2,21-17-12)14(19)16-7-4-10-20-13-5-8-18(3)9-6-13/h13H,4-11H2,1-3H3,(H,16,19)
InChIKeyFFLPJVWLXAIZPL-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.16
Rot. Bonds6

About 3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide

3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide (PubChem CID 122569135) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide
PubChem CID122569135
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide
SMILESCC1=NOC(C)(C(=O)NCCCOC2CCN(C)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-12-11-15(2,21-17-12)14(19)16-7-4-10-20-13-5-8-18(3)9-6-13/h13H,4-11H2,1-3H3,(H,16,19)
InChIKeyFFLPJVWLXAIZPL-UHFFFAOYSA-N
XLogP1.16
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
CID 122564451
5-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1H-pyrazole-4-carboxamide
CID 118790739
N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
CID 122565628
(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465461
formic acid;1-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide
CID 154912664
(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815902
2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]propan-1-amine
CID 62442619
1-amino-N-(3-cyclopentyloxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119309030
2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
CID 91792907
(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465411
ethane;N-[2-[2-[2-[2-[2-(1-methylpiperidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 171081964

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide (CID 122569135) is 3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide is CC1=NOC(C)(C(=O)NCCCOC2CCN(C)CC2)C1.
What is the InChIKey of 3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide?
The InChIKey is FFLPJVWLXAIZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12-11-15(2,21-17-12)14(19)16-7-4-10-20-13-5-8-18(3)9-6-13/h13H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide?
3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 122569135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).