1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine

C12H20N2O2 — CID 79236450

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1noc(C)c1C(C)NCC1CCOC1
InChIInChI=1S/C12H20N2O2/c1-8(12-9(2)14-16-10(12)3)13-6-11-4-5-15-7-11/h8,11,13H,4-7H2,1-3H3
InChIKeyJKRQRQIZRVKBOY-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.98
Rot. Bonds4

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 79236450) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID79236450
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1noc(C)c1C(C)NCC1CCOC1
InChIInChI=1S/C12H20N2O2/c1-8(12-9(2)14-16-10(12)3)13-6-11-4-5-15-7-11/h8,11,13H,4-7H2,1-3H3
InChIKeyJKRQRQIZRVKBOY-UHFFFAOYSA-N
XLogP1.98
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 61192868
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 113428831
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 79242000
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
1-(2,6-dichloro-3-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932036
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine
CID 115896742
1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191196
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104577650
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 43202632

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 79236450) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine is Cc1noc(C)c1C(C)NCC1CCOC1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is JKRQRQIZRVKBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(12-9(2)14-16-10(12)3)13-6-11-4-5-15-7-11/h8,11,13H,4-7H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 224.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 79236450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).