N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine

C16H22N2O2 — CID 79237158

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(C)NCc1c(C)noc1C
InChIInChI=1S/C16H22N2O2/c1-5-19-16-9-7-6-8-14(16)11(2)17-10-15-12(3)18-20-13(15)4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyHYTNWYRPJPNUTA-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.54
Rot. Bonds6

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine (PubChem CID 79237158) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine
PubChem CID79237158
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(C)NCc1c(C)noc1C
InChIInChI=1S/C16H22N2O2/c1-5-19-16-9-7-6-8-14(16)11(2)17-10-15-12(3)18-20-13(15)4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyHYTNWYRPJPNUTA-UHFFFAOYSA-N
XLogP3.54
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 81383318
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103913111
1-(2-ethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103913113
1-(2-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106392807
1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913115
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine
CID 50960435
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol
CID 79236061
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223377
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(2-ethoxyphenyl)ethanamine;dihydrochloride
CID 155819724
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 43183580
1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 79236475
4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol
CID 115715689

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine (CID 79237158) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine is CCOc1ccccc1C(C)NCc1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine?
The InChIKey is HYTNWYRPJPNUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-19-16-9-7-6-8-14(16)11(2)17-10-15-12(3)18-20-13(15)4/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine has a molecular weight of 274.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 79237158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).