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

C22H34N2O7S — CID 45110124

IUPAC2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
SMILESCC(C)(C(=O)Nc1cc(C2(COC3CCCOC3)CCC2)no1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C22H34N2O7S/c1-21(2,32(26,27)17-6-11-28-12-7-17)20(25)23-19-13-18(24-31-19)22(8-4-9-22)15-30-16-5-3-10-29-14-16/h13,16-17H,3-12,14-15H2,1-2H3,(H,23,25)
InChIKeyYTPIWUZWDVMQPU-UHFFFAOYSA-N
MW470.59 g/mol
LogP2.60
Rot. Bonds8

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

2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide (PubChem CID 45110124) has the molecular formula C22H34N2O7S and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
PubChem CID45110124
Molecular FormulaC22H34N2O7S
Molecular Weight470.59 g/mol
Exact Mass470.21
IUPAC Name2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
SMILESCC(C)(C(=O)Nc1cc(C2(COC3CCCOC3)CCC2)no1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C22H34N2O7S/c1-21(2,32(26,27)17-6-11-28-12-7-17)20(25)23-19-13-18(24-31-19)22(8-4-9-22)15-30-16-5-3-10-29-14-16/h13,16-17H,3-12,14-15H2,1-2H3,(H,23,25)
InChIKeyYTPIWUZWDVMQPU-UHFFFAOYSA-N
XLogP2.60
TPSA116.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 52.60
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-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?
The IUPAC name of 2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide (CID 45110124) is 2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide.
What is the SMILES notation for 2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?
The canonical SMILES for 2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide is CC(C)(C(=O)Nc1cc(C2(COC3CCCOC3)CCC2)no1)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?
The InChIKey is YTPIWUZWDVMQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O7S/c1-21(2,32(26,27)17-6-11-28-12-7-17)20(25)23-19-13-18(24-31-19)22(8-4-9-22)15-30-16-5-3-10-29-14-16/h13,16-17H,3-12,14-15H2,1-2H3,(H,23,25).
What are the key properties of 2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?
2-methyl-N-[3-[1-(oxan-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide has a molecular weight of 470.59 g/mol, XLogP of 2.60, 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-3-yloxymethyl)cyclobutyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide is sourced from PubChem (CID 45110124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).