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

C22H36N2O7S — CID 59253279

IUPAC2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
SMILESCC(OC1CCCCO1)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C22H36N2O7S/c1-15(30-19-8-6-7-11-29-19)21(2,3)17-14-18(31-24-17)23-20(25)22(4,5)32(26,27)16-9-12-28-13-10-16/h14-16,19H,6-13H2,1-5H3,(H,23,25)
InChIKeyDGEXWIZIOAZRFO-UHFFFAOYSA-N
MW472.60 g/mol
LogP3.19
Rot. Bonds8

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

2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide (PubChem CID 59253279) has the molecular formula C22H36N2O7S and a molecular weight of 472.60 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
PubChem CID59253279
Molecular FormulaC22H36N2O7S
Molecular Weight472.60 g/mol
Exact Mass472.22
IUPAC Name2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
SMILESCC(OC1CCCCO1)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C22H36N2O7S/c1-15(30-19-8-6-7-11-29-19)21(2,3)17-14-18(31-24-17)23-20(25)22(4,5)32(26,27)16-9-12-28-13-10-16/h14-16,19H,6-13H2,1-5H3,(H,23,25)
InChIKeyDGEXWIZIOAZRFO-UHFFFAOYSA-N
XLogP3.19
TPSA116.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 67309167
2-methyl-N-[3-[(3S)-2-methyl-3-(oxan-3-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 59253225
methyl 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanoate
CID 56603323
2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 45110255
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 59253303
3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine
CID 59253241
N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
CID 67309679
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 71244440
2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 45110124
N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2,2-dimethyl-3-(oxan-4-ylsulfonyl)propanamide
CID 163430822
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132
2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide
CID 58201695

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?
The IUPAC name of 2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide (CID 59253279) is 2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide.
What is the SMILES notation for 2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?
The canonical SMILES for 2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide is CC(OC1CCCCO1)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1.
What is the InChIKey of 2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?
The InChIKey is DGEXWIZIOAZRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O7S/c1-15(30-19-8-6-7-11-29-19)21(2,3)17-14-18(31-24-17)23-20(25)22(4,5)32(26,27)16-9-12-28-13-10-16/h14-16,19H,6-13H2,1-5H3,(H,23,25).
What are the key properties of 2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?
2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide has a molecular weight of 472.60 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide is sourced from PubChem (CID 59253279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).