5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C13H18N4O3S — CID 3825192

IUPAC5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1nnsc1C(=O)N1CCC(N2CC(C)OC2=O)CC1
InChIInChI=1S/C13H18N4O3S/c1-8-7-17(13(19)20-8)10-3-5-16(6-4-10)12(18)11-9(2)14-15-21-11/h8,10H,3-7H2,1-2H3
InChIKeyAZCMNDZZNMRBAE-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.29
Rot. Bonds2

About 5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3825192) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3825192
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1nnsc1C(=O)N1CCC(N2CC(C)OC2=O)CC1
InChIInChI=1S/C13H18N4O3S/c1-8-7-17(13(19)20-8)10-3-5-16(6-4-10)12(18)11-9(2)14-15-21-11/h8,10H,3-7H2,1-2H3
InChIKeyAZCMNDZZNMRBAE-UHFFFAOYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3825192) is 5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is Cc1nnsc1C(=O)N1CCC(N2CC(C)OC2=O)CC1.
What is the InChIKey of 5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is AZCMNDZZNMRBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8-7-17(13(19)20-8)10-3-5-16(6-4-10)12(18)11-9(2)14-15-21-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 310.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3825192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).