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

C24H38N2O7S — CID 45110255

IUPAC2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
SMILESCC(C)(C(=O)Nc1cc(C2(COC3CCCCO3)CCCCC2)no1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C24H38N2O7S/c1-23(2,34(28,29)18-9-14-30-15-10-18)22(27)25-20-16-19(26-33-20)24(11-5-3-6-12-24)17-32-21-8-4-7-13-31-21/h16,18,21H,3-15,17H2,1-2H3,(H,25,27)
InChIKeyRQFXKGAGUGGCDI-UHFFFAOYSA-N
MW498.64 g/mol
LogP3.73
Rot. Bonds8

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

2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide (PubChem CID 45110255) has the molecular formula C24H38N2O7S and a molecular weight of 498.64 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
PubChem CID45110255
Molecular FormulaC24H38N2O7S
Molecular Weight498.64 g/mol
Exact Mass498.24
IUPAC Name2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
SMILESCC(C)(C(=O)Nc1cc(C2(COC3CCCCO3)CCCCC2)no1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C24H38N2O7S/c1-23(2,34(28,29)18-9-14-30-15-10-18)22(27)25-20-16-19(26-33-20)24(11-5-3-6-12-24)17-32-21-8-4-7-13-31-21/h16,18,21H,3-15,17H2,1-2H3,(H,25,27)
InChIKeyRQFXKGAGUGGCDI-UHFFFAOYSA-N
XLogP3.73
TPSA116.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.64
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?
The IUPAC name of 2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide (CID 45110255) is 2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide.
What is the SMILES notation for 2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?
The canonical SMILES for 2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide is CC(C)(C(=O)Nc1cc(C2(COC3CCCCO3)CCCCC2)no1)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?
The InChIKey is RQFXKGAGUGGCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O7S/c1-23(2,34(28,29)18-9-14-30-15-10-18)22(27)25-20-16-19(26-33-20)24(11-5-3-6-12-24)17-32-21-8-4-7-13-31-21/h16,18,21H,3-15,17H2,1-2H3,(H,25,27).
What are the key properties of 2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?
2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide has a molecular weight of 498.64 g/mol, XLogP of 3.73, 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-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide is sourced from PubChem (CID 45110255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).