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

C17H23N3O2S — CID 24714924

IUPAC2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1c(-c2ccccc2)noc1N1CCSCC1
InChIInChI=1S/C17H23N3O2S/c1-21-10-7-18-13-15-16(14-5-3-2-4-6-14)19-22-17(15)20-8-11-23-12-9-20/h2-6,18H,7-13H2,1H3
InChIKeyOUPLOENDJHIADC-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.63
Rot. Bonds7

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

2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine (PubChem CID 24714924) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
PubChem CID24714924
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1c(-c2ccccc2)noc1N1CCSCC1
InChIInChI=1S/C17H23N3O2S/c1-21-10-7-18-13-15-16(14-5-3-2-4-6-14)19-22-17(15)20-8-11-23-12-9-20/h2-6,18H,7-13H2,1H3
InChIKeyOUPLOENDJHIADC-UHFFFAOYSA-N
XLogP2.63
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.63
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',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 24714737
1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine
CID 24718053
1-(furan-2-ylmethoxy)-3-[2-methoxyethyl-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol
CID 46023942
2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60646666
N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 62746727
1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol
CID 42842286
4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 46152821
N-[[2-chloro-6-(1,4-thiazepan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63060080
2-methoxy-N-[(2-thiomorpholin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 63059993
N-butan-2-yl-2-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46023748
4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46023763
N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 46027779

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine (CID 24714924) is 2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine is COCCNCc1c(-c2ccccc2)noc1N1CCSCC1.
What is the InChIKey of 2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine?
The InChIKey is OUPLOENDJHIADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-21-10-7-18-13-15-16(14-5-3-2-4-6-14)19-22-17(15)20-8-11-23-12-9-20/h2-6,18H,7-13H2,1H3.
What are the key properties of 2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine has a molecular weight of 333.46 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 24714924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).