N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide

C16H26N2O6S — CID 45256133

IUPACN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
SMILESCC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C16H26N2O6S/c1-15(2,10-19)12-9-13(24-18-12)17-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11,19H,5-8,10H2,1-4H3,(H,17,20)
InChIKeyGZRKWISDSQAWCR-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.26
Rot. Bonds6

About N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide

N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide (PubChem CID 45256133) has the molecular formula C16H26N2O6S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
PubChem CID45256133
Molecular FormulaC16H26N2O6S
Molecular Weight374.46 g/mol
Exact Mass374.15
IUPAC NameN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
SMILESCC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C16H26N2O6S/c1-15(2,10-19)12-9-13(24-18-12)17-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11,19H,5-8,10H2,1-4H3,(H,17,20)
InChIKeyGZRKWISDSQAWCR-UHFFFAOYSA-N
XLogP1.26
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
The IUPAC name of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide (CID 45256133) is N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide.
What is the SMILES notation for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
The canonical SMILES for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide is CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1.
What is the InChIKey of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
The InChIKey is GZRKWISDSQAWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6S/c1-15(2,10-19)12-9-13(24-18-12)17-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11,19H,5-8,10H2,1-4H3,(H,17,20).
What are the key properties of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide?
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide has a molecular weight of 374.46 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide is sourced from PubChem (CID 45256133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).