2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide

C15H21N5O2S — CID 131925944

IUPAC2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC2CCN(c3cnsn3)CC2)o1
InChIInChI=1S/C15H21N5O2S/c1-3-13-18-10(2)14(22-13)15(21)16-8-11-4-6-20(7-5-11)12-9-17-23-19-12/h9,11H,3-8H2,1-2H3,(H,16,21)
InChIKeyYXGUAYPMBAHEAN-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.04
Rot. Bonds5

About 2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 131925944) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID131925944
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC2CCN(c3cnsn3)CC2)o1
InChIInChI=1S/C15H21N5O2S/c1-3-13-18-10(2)14(22-13)15(21)16-8-11-4-6-20(7-5-11)12-9-17-23-19-12/h9,11H,3-8H2,1-2H3,(H,16,21)
InChIKeyYXGUAYPMBAHEAN-UHFFFAOYSA-N
XLogP2.04
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 56722115
2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 131944892
N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131942655
2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 137200023
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-oxazole-5-carboxamide;formic acid
CID 154913506
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 77079880
2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 171389370
N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 126446578
2-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 125144382
2-ethyl-4-methyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-oxazole-5-carboxamide
CID 164636733
2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 70766629

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide (CID 131925944) is 2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NCC2CCN(c3cnsn3)CC2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is YXGUAYPMBAHEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-13-18-10(2)14(22-13)15(21)16-8-11-4-6-20(7-5-11)12-9-17-23-19-12/h9,11H,3-8H2,1-2H3,(H,16,21).
What are the key properties of 2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 131925944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).