(2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide

C10H14N2O5S — CID 99592171

IUPAC(2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide
SMILESC[C@@]1(C(=O)NS(=O)(=O)Cc2ccon2)CCCO1
InChIInChI=1S/C10H14N2O5S/c1-10(4-2-5-16-10)9(13)12-18(14,15)7-8-3-6-17-11-8/h3,6H,2,4-5,7H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyUTGKYEIEBHIXJB-JTQLQIEISA-N
MW274.30 g/mol
LogP0.19
Rot. Bonds4

About (2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide

(2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide (PubChem CID 99592171) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is (2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide
PubChem CID99592171
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name(2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide
SMILESC[C@@]1(C(=O)NS(=O)(=O)Cc2ccon2)CCCO1
InChIInChI=1S/C10H14N2O5S/c1-10(4-2-5-16-10)9(13)12-18(14,15)7-8-3-6-17-11-8/h3,6H,2,4-5,7H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyUTGKYEIEBHIXJB-JTQLQIEISA-N
XLogP0.19
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide (CID 99592171) is (2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide is C[C@@]1(C(=O)NS(=O)(=O)Cc2ccon2)CCCO1.
What is the InChIKey of (2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide?
The InChIKey is UTGKYEIEBHIXJB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-10(4-2-5-16-10)9(13)12-18(14,15)7-8-3-6-17-11-8/h3,6H,2,4-5,7H2,1H3,(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide?
(2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)oxolane-2-carboxamide is sourced from PubChem (CID 99592171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).