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

C14H20N2O2S — CID 62485992

IUPACN-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COCCc2cccs2)on1
InChIInChI=1S/C14H20N2O2S/c1-11(2)15-9-12-8-13(18-16-12)10-17-6-5-14-4-3-7-19-14/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3
InChIKeyNMTJJRPZMSHKCA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.99
Rot. Bonds8

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

N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 62485992) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID62485992
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COCCc2cccs2)on1
InChIInChI=1S/C14H20N2O2S/c1-11(2)15-9-12-8-13(18-16-12)10-17-6-5-14-4-3-7-19-14/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3
InChIKeyNMTJJRPZMSHKCA-UHFFFAOYSA-N
XLogP2.99
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.99
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-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908281
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62420414
N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62444489
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55072772
N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 106206079
N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine
CID 66158513
N-[[5-(pyridin-3-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62450295
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62440455
N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62454411
N-[[5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62460442
N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
CID 62486002
2-methyl-N-[[3-(2-thiophen-2-ylethoxymethyl)phenyl]methyl]propan-1-amine
CID 62485809

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 62485992) is N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(C)NCc1cc(COCCc2cccs2)on1.
What is the InChIKey of N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is NMTJJRPZMSHKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11(2)15-9-12-8-13(18-16-12)10-17-6-5-14-4-3-7-19-14/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3.
What are the key properties of N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 280.39 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62485992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).