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

C17H23N3O — CID 63638521

IUPACN-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine
SMILESCCN(Cc1cc(-c2ccccc2)on1)C1CCCNC1
InChIInChI=1S/C17H23N3O/c1-2-20(16-9-6-10-18-12-16)13-15-11-17(21-19-15)14-7-4-3-5-8-14/h3-5,7-8,11,16,18H,2,6,9-10,12-13H2,1H3
InChIKeyMIKUUELBSQJPGT-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.92
Rot. Bonds5

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

N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine (PubChem CID 63638521) 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-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine
PubChem CID63638521
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine
SMILESCCN(Cc1cc(-c2ccccc2)on1)C1CCCNC1
InChIInChI=1S/C17H23N3O/c1-2-20(16-9-6-10-18-12-16)13-15-11-17(21-19-15)14-7-4-3-5-8-14/h3-5,7-8,11,16,18H,2,6,9-10,12-13H2,1H3
InChIKeyMIKUUELBSQJPGT-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-4-amine
CID 60805614
N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 63637300
N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
CID 56711716
(3S)-3-[bis[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]azepan-2-one
CID 170752525
N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 40777368
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 63636269
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 63643903
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-ethylpiperidin-3-amine
CID 63636959

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine (CID 63638521) is N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine is CCN(Cc1cc(-c2ccccc2)on1)C1CCCNC1.
What is the InChIKey of N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine?
The InChIKey is MIKUUELBSQJPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20(16-9-6-10-18-12-16)13-15-11-17(21-19-15)14-7-4-3-5-8-14/h3-5,7-8,11,16,18H,2,6,9-10,12-13H2,1H3.
What are the key properties of N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine?
N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-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-3-amine is sourced from PubChem (CID 63638521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).