ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C15H20N4O5S — CID 3871192

IUPACethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2snnc2C)CC1
InChIInChI=1S/C15H20N4O5S/c1-3-23-14(21)11-8-24-15(22)19(11)10-4-6-18(7-5-10)13(20)12-9(2)16-17-25-12/h10-11H,3-8H2,1-2H3
InChIKeyRVFRLYIDECECSG-UHFFFAOYSA-N
MW368.42 g/mol
LogP0.84
Rot. Bonds4

About ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 3871192) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID3871192
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Nameethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2snnc2C)CC1
InChIInChI=1S/C15H20N4O5S/c1-3-23-14(21)11-8-24-15(22)19(11)10-4-6-18(7-5-10)13(20)12-9(2)16-17-25-12/h10-11H,3-8H2,1-2H3
InChIKeyRVFRLYIDECECSG-UHFFFAOYSA-N
XLogP0.84
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3805310
ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3816107
ethyl 1-(4-methylthiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 4519203
ethyl 3-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 4513296
3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156473
ethyl (4S)-3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74226224
ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3700877
ethyl 2-oxo-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3791424
ethyl (4S)-2-oxo-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 74229563
5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3825192
ethyl (4S)-3-[1-(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74227484
ethyl (4S)-3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74229185

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 3871192) is ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is CCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2snnc2C)CC1.
What is the InChIKey of ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is RVFRLYIDECECSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S/c1-3-23-14(21)11-8-24-15(22)19(11)10-4-6-18(7-5-10)13(20)12-9(2)16-17-25-12/h10-11H,3-8H2,1-2H3.
What are the key properties of ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 368.42 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 3871192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).