1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine

C13H23N3O — CID 114180493

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(Cc2nc(C)c(C)o2)CC1
InChIInChI=1S/C13H23N3O/c1-4-14-12-5-7-16(8-6-12)9-13-15-10(2)11(3)17-13/h12,14H,4-9H2,1-3H3
InChIKeyNHUZNEZFPORIRG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.87
Rot. Bonds4

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine (PubChem CID 114180493) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine
PubChem CID114180493
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(Cc2nc(C)c(C)o2)CC1
InChIInChI=1S/C13H23N3O/c1-4-14-12-5-7-16(8-6-12)9-13-15-10(2)11(3)17-13/h12,14H,4-9H2,1-3H3
InChIKeyNHUZNEZFPORIRG-UHFFFAOYSA-N
XLogP1.87
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride
CID 119926784
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride
CID 119923701
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493821
3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 126819950
1-cyclopropyl-2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-ethylguanidine;hydroiodide
CID 111759478
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114180494
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4,5-dimethyl-1,3-oxazole
CID 81490315
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491666
2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine
CID 111764355
1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 111761985
(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
CID 107226246
4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 146139249

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine (CID 114180493) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine is CCNC1CCN(Cc2nc(C)c(C)o2)CC1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine?
The InChIKey is NHUZNEZFPORIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-14-12-5-7-16(8-6-12)9-13-15-10(2)11(3)17-13/h12,14H,4-9H2,1-3H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine is sourced from PubChem (CID 114180493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).