(2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one

C12H18N2O5S — CID 94172378

IUPAC(2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2CCOCC2)on1
InChIInChI=1S/C12H18N2O5S/c1-9-7-11(19-13-9)8-20(16,17)10(2)12(15)14-3-5-18-6-4-14/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyYHKAYVQSSYFKDX-JTQLQIEISA-N
MW302.35 g/mol
LogP0.15
Rot. Bonds4

About (2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one

(2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 94172378) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is (2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
PubChem CID94172378
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name(2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2CCOCC2)on1
InChIInChI=1S/C12H18N2O5S/c1-9-7-11(19-13-9)8-20(16,17)10(2)12(15)14-3-5-18-6-4-14/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyYHKAYVQSSYFKDX-JTQLQIEISA-N
XLogP0.15
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one (CID 94172378) is (2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one is Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2CCOCC2)on1.
What is the InChIKey of (2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YHKAYVQSSYFKDX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-9-7-11(19-13-9)8-20(16,17)10(2)12(15)14-3-5-18-6-4-14/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one?
(2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 302.35 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 94172378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).