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

C12H22N2O2 — CID 115688369

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCCc1c(C)noc1C
InChIInChI=1S/C12H22N2O2/c1-9(6-8-15-4)13-7-5-12-10(2)14-16-11(12)3/h9,13H,5-8H2,1-4H3
InChIKeyFAJAGCJDNCOKHF-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.85
Rot. Bonds7

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

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine (PubChem CID 115688369) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine
PubChem CID115688369
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCCc1c(C)noc1C
InChIInChI=1S/C12H22N2O2/c1-9(6-8-15-4)13-7-5-12-10(2)14-16-11(12)3/h9,13H,5-8H2,1-4H3
InChIKeyFAJAGCJDNCOKHF-UHFFFAOYSA-N
XLogP1.85
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75428017
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115763581
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylheptan-2-amine
CID 43183570
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 86985319
(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 129480409
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 115727487
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111762902
(2S)-2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbutanamide
CID 119320910
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
CID 47856555
4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332509

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine (CID 115688369) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine is COCCC(C)NCCc1c(C)noc1C.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine?
The InChIKey is FAJAGCJDNCOKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(6-8-15-4)13-7-5-12-10(2)14-16-11(12)3/h9,13H,5-8H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 115688369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).