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

C22H36N2O7S — CID 59253303

IUPAC2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide
SMILESCC(C)(COC1CCCCO1)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
InChIInChI=1S/C22H36N2O7S/c1-21(2,15-30-19-7-5-6-10-29-19)17-13-18(31-24-17)23-20(25)22(3,4)32(26,27)14-16-8-11-28-12-9-16/h13,16,19H,5-12,14-15H2,1-4H3,(H,23,25)
InChIKeyZGQZUEVJFDOKPB-UHFFFAOYSA-N
MW472.60 g/mol
LogP3.05
Rot. Bonds9

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

2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide (PubChem CID 59253303) has the molecular formula C22H36N2O7S and a molecular weight of 472.60 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide
PubChem CID59253303
Molecular FormulaC22H36N2O7S
Molecular Weight472.60 g/mol
Exact Mass472.22
IUPAC Name2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide
SMILESCC(C)(COC1CCCCO1)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
InChIInChI=1S/C22H36N2O7S/c1-21(2,15-30-19-7-5-6-10-29-19)17-13-18(31-24-17)23-20(25)22(3,4)32(26,27)14-16-8-11-28-12-9-16/h13,16,19H,5-12,14-15H2,1-4H3,(H,23,25)
InChIKeyZGQZUEVJFDOKPB-UHFFFAOYSA-N
XLogP3.05
TPSA116.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-3-(oxan-4-ylmethylsulfonyl)butan-2-one
CID 58042675
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132
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-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide
CID 77477724
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide
CID 59703974
3-[(4-methoxycyclohexyl)methylsulfonyl]-3-methyl-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
CID 58042615
2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 70820859
2-(3-fluoropyrrolidin-1-yl)sulfanyl-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 143964784
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
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-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 45110255
1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide
CID 77437927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide?
The IUPAC name of 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) is 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide.
What is the SMILES notation for 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide?
The canonical SMILES for 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide is CC(C)(COC1CCCCO1)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1.
What is the InChIKey of 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide?
The InChIKey is ZGQZUEVJFDOKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O7S/c1-21(2,15-30-19-7-5-6-10-29-19)17-13-18(31-24-17)23-20(25)22(3,4)32(26,27)14-16-8-11-28-12-9-16/h13,16,19H,5-12,14-15H2,1-4H3,(H,23,25).
What are the key properties of 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide?
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide has a molecular weight of 472.60 g/mol, XLogP of 3.05, 9 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-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide is sourced from PubChem (CID 59253303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).