N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine

C16H22N2O3 — CID 66157018

IUPACN-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cc(COC)on2)cc1
InChIInChI=1S/C16H22N2O3/c1-3-8-17-10-13-4-6-15(7-5-13)20-11-14-9-16(12-19-2)21-18-14/h4-7,9,17H,3,8,10-12H2,1-2H3
InChIKeyMIKOEOSATPIOHG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.90
Rot. Bonds9

About N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine

N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine (PubChem CID 66157018) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine
PubChem CID66157018
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cc(COC)on2)cc1
InChIInChI=1S/C16H22N2O3/c1-3-8-17-10-13-4-6-15(7-5-13)20-11-14-9-16(12-19-2)21-18-14/h4-7,9,17H,3,8,10-12H2,1-2H3
InChIKeyMIKOEOSATPIOHG-UHFFFAOYSA-N
XLogP2.90
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[(4-propylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62548925
N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60880636
2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63063411
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
CID 66156413
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylethanamine
CID 66157222
1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157214
1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62485184
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
N-[[5-[(2,3,6-trimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484979
N-[[5-[[3-(methoxymethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63985026
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine (CID 66157018) is N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCc2cc(COC)on2)cc1.
What is the InChIKey of N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is MIKOEOSATPIOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-8-17-10-13-4-6-15(7-5-13)20-11-14-9-16(12-19-2)21-18-14/h4-7,9,17H,3,8,10-12H2,1-2H3.
What are the key properties of N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine?
N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 290.36 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 66157018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).