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

C12H22N2O2 — CID 115720129

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NC(C)c1c(C)noc1C
InChIInChI=1S/C12H22N2O2/c1-7(10(4)15-6)13-8(2)12-9(3)14-16-11(12)5/h7-8,10,13H,1-6H3
InChIKeyUHNIQEYTSJUVPW-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.37
Rot. Bonds5

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine (PubChem CID 115720129) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine
PubChem CID115720129
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NC(C)c1c(C)noc1C
InChIInChI=1S/C12H22N2O2/c1-7(10(4)15-6)13-8(2)12-9(3)14-16-11(12)5/h7-8,10,13H,1-6H3
InChIKeyUHNIQEYTSJUVPW-UHFFFAOYSA-N
XLogP2.37
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[1-(tetrahydro-2-furanyl)ethyl]-4-isoxazolecarboxamide
CID 2970406
[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
alpha,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006348
N,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006353
1-((Dimethyl-1,2-oxazol-4-yl)methyl)piperazine dihydrochloride
CID 42933684
(3,5-Dimethyl-4-isoxazolyl)(2,6-dimethylmorpholino)methanone
CID 3751691
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 47110196
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(oxan-4-yl)urea
CID 53509289
N-[2-(dimethylamino)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 53518714
Methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate
CID 71855505
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 84598270
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 93260440

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine (CID 115720129) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine is COC(C)C(C)NC(C)c1c(C)noc1C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine?
The InChIKey is UHNIQEYTSJUVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-7(10(4)15-6)13-8(2)12-9(3)14-16-11(12)5/h7-8,10,13H,1-6H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 115720129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).