N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine

C11H14N2O2S — CID 66158513

IUPACN-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESCOCc1cc(CNCc2cccs2)no1
InChIInChI=1S/C11H14N2O2S/c1-14-8-10-5-9(13-15-10)6-12-7-11-3-2-4-16-11/h2-5,12H,6-8H2,1H3
InChIKeyJDUMQIVPBFVUGA-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.17
Rot. Bonds6

About N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine

N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine (PubChem CID 66158513) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine
PubChem CID66158513
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESCOCc1cc(CNCc2cccs2)no1
InChIInChI=1S/C11H14N2O2S/c1-14-8-10-5-9(13-15-10)6-12-7-11-3-2-4-16-11/h2-5,12H,6-8H2,1H3
InChIKeyJDUMQIVPBFVUGA-UHFFFAOYSA-N
XLogP2.17
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R,4S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 26743054
N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62485992
N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463826
2-(methoxymethyl)thiophene
CID 10240820
N-[[5-[[3-(methoxymethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63985026
N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine
CID 66157018
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444852
O-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]hydroxylamine
CID 79427575
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 127266060
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62420414
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine (CID 66158513) is N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine is COCc1cc(CNCc2cccs2)no1.
What is the InChIKey of N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is JDUMQIVPBFVUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-14-8-10-5-9(13-15-10)6-12-7-11-3-2-4-16-11/h2-5,12H,6-8H2,1H3.
What are the key properties of N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine?
N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 238.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 66158513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).