2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide

C11H16N2O5S — CID 99618676

IUPAC2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide
SMILESCCc1nc(C(=O)NS(=O)(=O)C[C@H]2CCOC2)co1
InChIInChI=1S/C11H16N2O5S/c1-2-10-12-9(6-18-10)11(14)13-19(15,16)7-8-3-4-17-5-8/h6,8H,2-5,7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyGWGJRLZCQRDUAJ-QMMMGPOBSA-N
MW288.32 g/mol
LogP0.33
Rot. Bonds5

About 2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide

2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide (PubChem CID 99618676) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide
PubChem CID99618676
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide
SMILESCCc1nc(C(=O)NS(=O)(=O)C[C@H]2CCOC2)co1
InChIInChI=1S/C11H16N2O5S/c1-2-10-12-9(6-18-10)11(14)13-19(15,16)7-8-3-4-17-5-8/h6,8H,2-5,7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyGWGJRLZCQRDUAJ-QMMMGPOBSA-N
XLogP0.33
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide (CID 99618676) is 2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide is CCc1nc(C(=O)NS(=O)(=O)C[C@H]2CCOC2)co1.
What is the InChIKey of 2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GWGJRLZCQRDUAJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-2-10-12-9(6-18-10)11(14)13-19(15,16)7-8-3-4-17-5-8/h6,8H,2-5,7H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide?
2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99618676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).