N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine

C17H24N2O2 — CID 56672763

IUPACN-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1coc(-c2ccccc2OCC)n1
InChIInChI=1S/C17H24N2O2/c1-4-6-11-19(3)12-14-13-21-17(18-14)15-9-7-8-10-16(15)20-5-2/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyYKGIXPMBNUHQFP-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.97
Rot. Bonds8

About N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine

N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 56672763) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID56672763
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1coc(-c2ccccc2OCC)n1
InChIInChI=1S/C17H24N2O2/c1-4-6-11-19(3)12-14-13-21-17(18-14)15-9-7-8-10-16(15)20-5-2/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyYKGIXPMBNUHQFP-UHFFFAOYSA-N
XLogP3.97
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylaniline
CID 56661731
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 56658620
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
CID 56672823
1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 65288753
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56664992
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65288493
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65288161
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 56675836
4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole
CID 56672883
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole
CID 56669262

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine (CID 56672763) is N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1coc(-c2ccccc2OCC)n1.
What is the InChIKey of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is YKGIXPMBNUHQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-6-11-19(3)12-14-13-21-17(18-14)15-9-7-8-10-16(15)20-5-2/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine?
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 56672763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).