[4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone

C12H19N3O3 — CID 115824313

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESNCCCOC1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C12H19N3O3/c13-5-1-9-17-10-3-7-15(8-4-10)12(16)11-2-6-14-18-11/h2,6,10H,1,3-5,7-9,13H2
InChIKeyLZULFEMQXOTKOJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.64
Rot. Bonds5

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

[4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 115824313) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID115824313
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESNCCCOC1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C12H19N3O3/c13-5-1-9-17-10-3-7-15(8-4-10)12(16)11-2-6-14-18-11/h2,6,10H,1,3-5,7-9,13H2
InChIKeyLZULFEMQXOTKOJ-UHFFFAOYSA-N
XLogP0.64
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.64
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

[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 79737157
[4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
CID 119661859
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 119661915
[4-(3-aminopropoxy)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677184
[4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119663041
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342
[4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 79736339
[4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 79734997
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
[4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119662498
[4-(3-aminopropoxy)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 119662618
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;dihydrochloride
CID 119661860

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 115824313) is [4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is NCCCOC1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is LZULFEMQXOTKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c13-5-1-9-17-10-3-7-15(8-4-10)12(16)11-2-6-14-18-11/h2,6,10H,1,3-5,7-9,13H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 253.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 115824313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).