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

C13H22N2O2 — CID 106369246

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCCc1cnc(CNC2CCOC(C)(C)C2)o1
InChIInChI=1S/C13H22N2O2/c1-4-11-8-15-12(17-11)9-14-10-5-6-16-13(2,3)7-10/h8,10,14H,4-7,9H2,1-3H3
InChIKeyIDXPLSNFYBKRGA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.28
Rot. Bonds4

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine (PubChem CID 106369246) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
PubChem CID106369246
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCCc1cnc(CNC2CCOC(C)(C)C2)o1
InChIInChI=1S/C13H22N2O2/c1-4-11-8-15-12(17-11)9-14-10-5-6-16-13(2,3)7-10/h8,10,14H,4-7,9H2,1-3H3
InChIKeyIDXPLSNFYBKRGA-UHFFFAOYSA-N
XLogP2.28
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 106370958
N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 83033067
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 113428820
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563595
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 106368879
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086
(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753866
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103096714
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 104926902
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 104926931

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine (CID 106369246) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine is CCc1cnc(CNC2CCOC(C)(C)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is IDXPLSNFYBKRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-11-8-15-12(17-11)9-14-10-5-6-16-13(2,3)7-10/h8,10,14H,4-7,9H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 238.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 106369246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).