2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine

C9H16N2O2S — CID 66220105

IUPAC2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine
SMILESCOCc1cc(CSC(C)CN)no1
InChIInChI=1S/C9H16N2O2S/c1-7(4-10)14-6-8-3-9(5-12-2)13-11-8/h3,7H,4-6,10H2,1-2H3
InChIKeySDTRRAXCKWRRIG-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.40
Rot. Bonds6

About 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine

2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine (PubChem CID 66220105) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine
PubChem CID66220105
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine
SMILESCOCc1cc(CSC(C)CN)no1
InChIInChI=1S/C9H16N2O2S/c1-7(4-10)14-6-8-3-9(5-12-2)13-11-8/h3,7H,4-6,10H2,1-2H3
InChIKeySDTRRAXCKWRRIG-UHFFFAOYSA-N
XLogP1.40
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine (CID 66220105) is 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine is COCc1cc(CSC(C)CN)no1.
What is the InChIKey of 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine?
The InChIKey is SDTRRAXCKWRRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-7(4-10)14-6-8-3-9(5-12-2)13-11-8/h3,7H,4-6,10H2,1-2H3.
What are the key properties of 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine?
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine has a molecular weight of 216.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66220105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).