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

C13H23N3O — CID 79241941

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(C(C)c2c(C)noc2C)CC1
InChIInChI=1S/C13H23N3O/c1-9-13(11(3)17-15-9)10(2)16-7-5-12(14-4)6-8-16/h10,12,14H,5-8H2,1-4H3
InChIKeyPTIFTNDPMYCYQZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.04
Rot. Bonds3

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

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine (PubChem CID 79241941) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine
PubChem CID79241941
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(C(C)c2c(C)noc2C)CC1
InChIInChI=1S/C13H23N3O/c1-9-13(11(3)17-15-9)10(2)16-7-5-12(14-4)6-8-16/h10,12,14H,5-8H2,1-4H3
InChIKeyPTIFTNDPMYCYQZ-UHFFFAOYSA-N
XLogP2.04
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine
CID 79242016
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanamine
CID 79237126
3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole
CID 79237828
4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237989
N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79237238
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 97240369
tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103820989
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448603
3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 79462313
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione
CID 79777408
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 79237918
4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79939895

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine (CID 79241941) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine is CNC1CCN(C(C)c2c(C)noc2C)CC1.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine?
The InChIKey is PTIFTNDPMYCYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-13(11(3)17-15-9)10(2)16-7-5-12(14-4)6-8-16/h10,12,14H,5-8H2,1-4H3.
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 79241941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).