1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine

C11H18N4OS — CID 91837900

IUPAC1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine
SMILESCCC1=NOC(CN(C)Cc2snnc2C)C1
InChIInChI=1S/C11H18N4OS/c1-4-9-5-10(16-13-9)6-15(3)7-11-8(2)12-14-17-11/h10H,4-7H2,1-3H3
InChIKeyREWXOOACFVPBPH-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.83
Rot. Bonds5

About 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine

1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine (PubChem CID 91837900) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine
PubChem CID91837900
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine
SMILESCCC1=NOC(CN(C)Cc2snnc2C)C1
InChIInChI=1S/C11H18N4OS/c1-4-9-5-10(16-13-9)6-15(3)7-11-8(2)12-14-17-11/h10H,4-7H2,1-3H3
InChIKeyREWXOOACFVPBPH-UHFFFAOYSA-N
XLogP1.83
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine (CID 91837900) is 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine is CCC1=NOC(CN(C)Cc2snnc2C)C1.
What is the InChIKey of 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine?
The InChIKey is REWXOOACFVPBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-4-9-5-10(16-13-9)6-15(3)7-11-8(2)12-14-17-11/h10H,4-7H2,1-3H3.
What are the key properties of 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine?
1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine has a molecular weight of 254.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 91837900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).