N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

C11H16N4O2S — CID 91839551

IUPACN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCSCc1noc(CN(C)Cc2cc(C)on2)n1
InChIInChI=1S/C11H16N4O2S/c1-8-4-9(13-16-8)5-15(2)6-11-12-10(7-18-3)14-17-11/h4H,5-7H2,1-3H3
InChIKeyGJUBSQDKZYDULJ-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.86
Rot. Bonds6

About N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 91839551) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID91839551
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCSCc1noc(CN(C)Cc2cc(C)on2)n1
InChIInChI=1S/C11H16N4O2S/c1-8-4-9(13-16-8)5-15(2)6-11-12-10(7-18-3)14-17-11/h4H,5-7H2,1-3H3
InChIKeyGJUBSQDKZYDULJ-UHFFFAOYSA-N
XLogP1.86
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 91839551) is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is CSCc1noc(CN(C)Cc2cc(C)on2)n1.
What is the InChIKey of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is GJUBSQDKZYDULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-8-4-9(13-16-8)5-15(2)6-11-12-10(7-18-3)14-17-11/h4H,5-7H2,1-3H3.
What are the key properties of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 268.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 91839551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).