N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

C16H22N2O3 — CID 62440455

IUPACN-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCOc1cccc(OCc2cc(CNC(C)C)no2)c1
InChIInChI=1S/C16H22N2O3/c1-4-19-14-6-5-7-15(9-14)20-11-16-8-13(18-21-16)10-17-12(2)3/h5-9,12,17H,4,10-11H2,1-3H3
InChIKeyZQNMAPISZBFCOJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.15
Rot. Bonds8

About N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 62440455) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID62440455
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCOc1cccc(OCc2cc(CNC(C)C)no2)c1
InChIInChI=1S/C16H22N2O3/c1-4-19-14-6-5-7-15(9-14)20-11-16-8-13(18-21-16)10-17-12(2)3/h5-9,12,17H,4,10-11H2,1-3H3
InChIKeyZQNMAPISZBFCOJ-UHFFFAOYSA-N
XLogP3.15
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62460442
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
N-[[5-(pyridin-3-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62450295
N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62454411
N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62444489
N-[[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-2-amine
CID 66157217
N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62460276
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62450321
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55072772
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62452592

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 62440455) is N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is CCOc1cccc(OCc2cc(CNC(C)C)no2)c1.
What is the InChIKey of N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is ZQNMAPISZBFCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-19-14-6-5-7-15(9-14)20-11-16-8-13(18-21-16)10-17-12(2)3/h5-9,12,17H,4,10-11H2,1-3H3.
What are the key properties of N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 290.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62440455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).