2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide

C17H28N2O5S — CID 56603435

IUPAC2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
SMILESCOCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCCC2)no1
InChIInChI=1S/C17H28N2O5S/c1-16(2,11-23-5)13-10-14(19-24-13)18-15(20)17(3,4)25(21,22)12-8-6-7-9-12/h10,12H,6-9,11H2,1-5H3,(H,18,19,20)
InChIKeyDXEOWYHZWJPCKY-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.67
Rot. Bonds7

About 2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide

2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide (PubChem CID 56603435) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
PubChem CID56603435
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC Name2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
SMILESCOCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCCC2)no1
InChIInChI=1S/C17H28N2O5S/c1-16(2,11-23-5)13-10-14(19-24-13)18-15(20)17(3,4)25(21,22)12-8-6-7-9-12/h10,12H,6-9,11H2,1-5H3,(H,18,19,20)
InChIKeyDXEOWYHZWJPCKY-UHFFFAOYSA-N
XLogP2.67
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide?
The IUPAC name of 2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide (CID 56603435) is 2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide is COCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCCC2)no1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide?
The InChIKey is DXEOWYHZWJPCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-16(2,11-23-5)13-10-14(19-24-13)18-15(20)17(3,4)25(21,22)12-8-6-7-9-12/h10,12H,6-9,11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide?
2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide has a molecular weight of 372.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 56603435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).