2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine

C12H16N2O3S — CID 81139424

IUPAC2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1ncoc1-c1sccc1OC
InChIInChI=1S/C12H16N2O3S/c1-15-5-4-13-7-9-11(17-8-14-9)12-10(16-2)3-6-18-12/h3,6,8,13H,4-5,7H2,1-2H3
InChIKeyJSJZYQVWAFWDPW-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.15
Rot. Bonds7

About 2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine

2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 81139424) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID81139424
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1ncoc1-c1sccc1OC
InChIInChI=1S/C12H16N2O3S/c1-15-5-4-13-7-9-11(17-8-14-9)12-10(16-2)3-6-18-12/h3,6,8,13H,4-5,7H2,1-2H3
InChIKeyJSJZYQVWAFWDPW-UHFFFAOYSA-N
XLogP2.15
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 80642183
N-[[5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148458
N-[[5-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148265
N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 106864643
2-methoxy-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145029
N-[[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81262930
N-[[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81308351
N-[[5-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376386
2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144930
N-[[5-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 80642061
N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79144750
N-[[5-(2-fluoro-5-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79145692

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 81139424) is 2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine is COCCNCc1ncoc1-c1sccc1OC.
What is the InChIKey of 2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is JSJZYQVWAFWDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-15-5-4-13-7-9-11(17-8-14-9)12-10(16-2)3-6-18-12/h3,6,8,13H,4-5,7H2,1-2H3.
What are the key properties of 2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 268.34 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 81139424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).