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

C15H25N3O5S — CID 54771952

IUPAC2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCOCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CCC2)on1
InChIInChI=1S/C15H25N3O5S/c1-14(2,10-22-5)11-9-12(23-17-11)16-13(19)15(3,4)24(20,21)18-7-6-8-18/h9H,6-8,10H2,1-5H3,(H,16,19)
InChIKeySBWVLOUWVXXUJN-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.35
Rot. Bonds7

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

2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide (PubChem CID 54771952) has the molecular formula C15H25N3O5S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
PubChem CID54771952
Molecular FormulaC15H25N3O5S
Molecular Weight359.45 g/mol
Exact Mass359.15
IUPAC Name2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCOCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CCC2)on1
InChIInChI=1S/C15H25N3O5S/c1-14(2,10-22-5)11-9-12(23-17-11)16-13(19)15(3,4)24(20,21)18-7-6-8-18/h9H,6-8,10H2,1-5H3,(H,16,19)
InChIKeySBWVLOUWVXXUJN-UHFFFAOYSA-N
XLogP1.35
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide (CID 54771952) is 2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide is COCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CCC2)on1.
What is the InChIKey of 2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The InChIKey is SBWVLOUWVXXUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5S/c1-14(2,10-22-5)11-9-12(23-17-11)16-13(19)15(3,4)24(20,21)18-7-6-8-18/h9H,6-8,10H2,1-5H3,(H,16,19).
What are the key properties of 2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide has a molecular weight of 359.45 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 54771952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).