N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine

C17H23N3O — CID 60805614

IUPACN-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
SMILESCCN(Cc1cc(-c2ccccc2)on1)C1CCNCC1
InChIInChI=1S/C17H23N3O/c1-2-20(16-8-10-18-11-9-16)13-15-12-17(21-19-15)14-6-4-3-5-7-14/h3-7,12,16,18H,2,8-11,13H2,1H3
InChIKeyZMWBBYPYMMOVNB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.92
Rot. Bonds5

About N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine

N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine (PubChem CID 60805614) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
PubChem CID60805614
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
SMILESCCN(Cc1cc(-c2ccccc2)on1)C1CCNCC1
InChIInChI=1S/C17H23N3O/c1-2-20(16-8-10-18-11-9-16)13-15-12-17(21-19-15)14-6-4-3-5-7-14/h3-7,12,16,18H,2,8-11,13H2,1H3
InChIKeyZMWBBYPYMMOVNB-UHFFFAOYSA-N
XLogP2.92
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine
CID 63638521
N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467
(3S)-3-[bis[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]azepan-2-one
CID 170752525
N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 69497458
N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 40777368
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120967092
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 61009666
2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62820490
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 60683924
N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923832

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine (CID 60805614) is N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine is CCN(Cc1cc(-c2ccccc2)on1)C1CCNCC1.
What is the InChIKey of N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is ZMWBBYPYMMOVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20(16-8-10-18-11-9-16)13-15-12-17(21-19-15)14-6-4-3-5-7-14/h3-7,12,16,18H,2,8-11,13H2,1H3.
What are the key properties of N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 60805614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).