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

C18H30N2O6S — CID 56602953

IUPACN-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
SMILESCOCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
InChIInChI=1S/C18H30N2O6S/c1-17(2,12-24-5)14-10-15(26-20-14)19-16(21)18(3,4)27(22,23)11-13-6-8-25-9-7-13/h10,13H,6-9,11-12H2,1-5H3,(H,19,21)
InChIKeyBDDQLSKACGXUQH-UHFFFAOYSA-N
MW402.51 g/mol
LogP2.16
Rot. Bonds8

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

N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide (PubChem CID 56602953) has the molecular formula C18H30N2O6S and a molecular weight of 402.51 g/mol. Its IUPAC name is N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
PubChem CID56602953
Molecular FormulaC18H30N2O6S
Molecular Weight402.51 g/mol
Exact Mass402.18
IUPAC NameN-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
SMILESCOCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
InChIInChI=1S/C18H30N2O6S/c1-17(2,12-24-5)14-10-15(26-20-14)19-16(21)18(3,4)27(22,23)11-13-6-8-25-9-7-13/h10,13H,6-9,11-12H2,1-5H3,(H,19,21)
InChIKeyBDDQLSKACGXUQH-UHFFFAOYSA-N
XLogP2.16
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
The IUPAC name of N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide (CID 56602953) is N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide.
What is the SMILES notation for N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
The canonical SMILES for N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide is COCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1.
What is the InChIKey of N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
The InChIKey is BDDQLSKACGXUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O6S/c1-17(2,12-24-5)14-10-15(26-20-14)19-16(21)18(3,4)27(22,23)11-13-6-8-25-9-7-13/h10,13H,6-9,11-12H2,1-5H3,(H,19,21).
What are the key properties of N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide has a molecular weight of 402.51 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide is sourced from PubChem (CID 56602953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).