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

C13H24N2O2 — CID 114228241

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(C)NC(C)c1c(C)noc1C
InChIInChI=1S/C13H24N2O2/c1-8(12-9(2)15-17-10(12)3)14-11(4)13(5,6)16-7/h8,11,14H,1-7H3
InChIKeyAGDRLJGZWCIMFK-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.76
Rot. Bonds5

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine (PubChem CID 114228241) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine
PubChem CID114228241
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(C)NC(C)c1c(C)noc1C
InChIInChI=1S/C13H24N2O2/c1-8(12-9(2)15-17-10(12)3)14-11(4)13(5,6)16-7/h8,11,14H,1-7H3
InChIKeyAGDRLJGZWCIMFK-UHFFFAOYSA-N
XLogP2.76
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine
CID 115720129
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 79236329
N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79237238
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 79231064
methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate
CID 115353489
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 79236746
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 79236229
methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate
CID 103255492
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide
CID 78961648
2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80835417
1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]ethanamine
CID 79145036
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 79237148

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine (CID 114228241) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine is COC(C)(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-methoxy-3-methylbutan-2-amine?
The InChIKey is AGDRLJGZWCIMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-8(12-9(2)15-17-10(12)3)14-11(4)13(5,6)16-7/h8,11,14H,1-7H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 2.76, 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-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 114228241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).