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

C16H22N2O3 — CID 62459576

IUPACN-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(OCc2cc(CNC(C)(C)C)no2)cc1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)17-10-12-9-15(21-18-12)11-20-14-7-5-13(19-4)6-8-14/h5-9,17H,10-11H2,1-4H3
InChIKeyJPIWOEOPTZODRF-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.15
Rot. Bonds6

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

N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62459576) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62459576
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(OCc2cc(CNC(C)(C)C)no2)cc1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)17-10-12-9-15(21-18-12)11-20-14-7-5-13(19-4)6-8-14/h5-9,17H,10-11H2,1-4H3
InChIKeyJPIWOEOPTZODRF-UHFFFAOYSA-N
XLogP3.15
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Analyze N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62443200
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459392
2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449512
N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62450541
N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 107661175
2-methyl-N-[[5-[(1-propylpyrazol-4-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 116803459
2-methyl-N-[[5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 82957332
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62485184
2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62458050
N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62454411
N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62442813

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine (CID 62459576) is N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine is COc1ccc(OCc2cc(CNC(C)(C)C)no2)cc1.
What is the InChIKey of N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JPIWOEOPTZODRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)17-10-12-9-15(21-18-12)11-20-14-7-5-13(19-4)6-8-14/h5-9,17H,10-11H2,1-4H3.
What are the key properties of N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62459576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).