N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

C14H23N3O — CID 113377755

IUPACN-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCCC1CCN(c2nc(CNC3CC3)co2)CC1
InChIInChI=1S/C14H23N3O/c1-2-11-5-7-17(8-6-11)14-16-13(10-18-14)9-15-12-3-4-12/h10-12,15H,2-9H2,1H3
InChIKeyAAEROAKTPQVKGV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.55
Rot. Bonds5

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

N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 113377755) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID113377755
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCCC1CCN(c2nc(CNC3CC3)co2)CC1
InChIInChI=1S/C14H23N3O/c1-2-11-5-7-17(8-6-11)14-16-13(10-18-14)9-15-12-3-4-12/h10-12,15H,2-9H2,1H3
InChIKeyAAEROAKTPQVKGV-UHFFFAOYSA-N
XLogP2.55
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
CID 103503007
N-[[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106962402
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 103503049
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
N-methyl-1-[2-(4-methylsulfanylazepan-1-yl)-1,3-oxazol-4-yl]methanamine
CID 114238222
4-ethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 79496315
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105389678
N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 66457839
N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 106589222
4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
CID 65088346
N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62412903
N-[[2-(2-ethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 113377635

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 113377755) is N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is CCC1CCN(c2nc(CNC3CC3)co2)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is AAEROAKTPQVKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-11-5-7-17(8-6-11)14-16-13(10-18-14)9-15-12-3-4-12/h10-12,15H,2-9H2,1H3.
What are the key properties of N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 113377755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).