N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

C13H20N2O5S — CID 99807012

IUPACN-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NS(=O)(=O)C[C@@H]1CCCCO1
InChIInChI=1S/C13H20N2O5S/c1-9(2)12-11(14-8-20-12)13(16)15-21(17,18)7-10-5-3-4-6-19-10/h8-10H,3-7H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyWFZQIMAJEBXUQX-JTQLQIEISA-N
MW316.38 g/mol
LogP1.43
Rot. Bonds5

About N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 99807012) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID99807012
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NS(=O)(=O)C[C@@H]1CCCCO1
InChIInChI=1S/C13H20N2O5S/c1-9(2)12-11(14-8-20-12)13(16)15-21(17,18)7-10-5-3-4-6-19-10/h8-10H,3-7H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyWFZQIMAJEBXUQX-JTQLQIEISA-N
XLogP1.43
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
CID 166232588
4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide
CID 95619167
5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide
CID 134813247
N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64994230
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 138018172
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 71861398
5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide
CID 136532717
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 56705447
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 77082448
1-(3-fluorophenyl)-3-methyl-N-(oxan-2-ylmethylsulfonyl)pyrazole-4-carboxamide
CID 138045332
1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide
CID 129398295

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 99807012) is N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)NS(=O)(=O)C[C@@H]1CCCCO1.
What is the InChIKey of N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is WFZQIMAJEBXUQX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-9(2)12-11(14-8-20-12)13(16)15-21(17,18)7-10-5-3-4-6-19-10/h8-10H,3-7H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99807012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).