3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine

C12H16N4O2S — CID 167840558

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
SMILESCc1nnc(C2COCCN2CCc2ccns2)o1
InChIInChI=1S/C12H16N4O2S/c1-9-14-15-12(18-9)11-8-17-7-6-16(11)5-3-10-2-4-13-19-10/h2,4,11H,3,5-8H2,1H3
InChIKeyOWJAQHDLRKYSNT-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.45
Rot. Bonds4

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine

3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine (PubChem CID 167840558) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
PubChem CID167840558
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
SMILESCc1nnc(C2COCCN2CCc2ccns2)o1
InChIInChI=1S/C12H16N4O2S/c1-9-14-15-12(18-9)11-8-17-7-6-16(11)5-3-10-2-4-13-19-10/h2,4,11H,3,5-8H2,1H3
InChIKeyOWJAQHDLRKYSNT-UHFFFAOYSA-N
XLogP1.45
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine (CID 167840558) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine is Cc1nnc(C2COCCN2CCc2ccns2)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine?
The InChIKey is OWJAQHDLRKYSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-14-15-12(18-9)11-8-17-7-6-16(11)5-3-10-2-4-13-19-10/h2,4,11H,3,5-8H2,1H3.
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine has a molecular weight of 280.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine is sourced from PubChem (CID 167840558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).