N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C12H15F3N2O4S — CID 138035460

IUPACN-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)C1(CNC(=O)c2ncoc2C(F)(F)F)CCCC1
InChIInChI=1S/C12H15F3N2O4S/c1-22(19,20)11(4-2-3-5-11)6-16-10(18)8-9(12(13,14)15)21-7-17-8/h7H,2-6H2,1H3,(H,16,18)
InChIKeyMXRHBVUDSDFEPA-UHFFFAOYSA-N
MW340.32 g/mol
LogP1.78
Rot. Bonds4

About N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 138035460) has the molecular formula C12H15F3N2O4S and a molecular weight of 340.32 g/mol. Its IUPAC name is N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID138035460
Molecular FormulaC12H15F3N2O4S
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC NameN-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)C1(CNC(=O)c2ncoc2C(F)(F)F)CCCC1
InChIInChI=1S/C12H15F3N2O4S/c1-22(19,20)11(4-2-3-5-11)6-16-10(18)8-9(12(13,14)15)21-7-17-8/h7H,2-6H2,1H3,(H,16,18)
InChIKeyMXRHBVUDSDFEPA-UHFFFAOYSA-N
XLogP1.78
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138034726
N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138036074
2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119050637
N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 139001510
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364372
1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119168058
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364085
N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 161311002
N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide
CID 175777268
5-propan-2-yl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-oxazole-4-carboxamide
CID 122563952
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 116547155
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909451

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 138035460) is N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CS(=O)(=O)C1(CNC(=O)c2ncoc2C(F)(F)F)CCCC1.
What is the InChIKey of N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MXRHBVUDSDFEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O4S/c1-22(19,20)11(4-2-3-5-11)6-16-10(18)8-9(12(13,14)15)21-7-17-8/h7H,2-6H2,1H3,(H,16,18).
What are the key properties of N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 340.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138035460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).