N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide

C19H24N2O5S — CID 70818837

IUPACN-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
SMILESCc1cc(-c2ccc(OCC3COCCC3NS(=O)(=O)C3CC3)cc2)no1
InChIInChI=1S/C19H24N2O5S/c1-13-10-19(20-26-13)14-2-4-16(5-3-14)25-12-15-11-24-9-8-18(15)21-27(22,23)17-6-7-17/h2-5,10,15,17-18,21H,6-9,11-12H2,1H3
InChIKeyPYBWEEUEUAAXAQ-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.52
Rot. Bonds7

About N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide

N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide (PubChem CID 70818837) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
PubChem CID70818837
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
SMILESCc1cc(-c2ccc(OCC3COCCC3NS(=O)(=O)C3CC3)cc2)no1
InChIInChI=1S/C19H24N2O5S/c1-13-10-19(20-26-13)14-2-4-16(5-3-14)25-12-15-11-24-9-8-18(15)21-27(22,23)17-6-7-17/h2-5,10,15,17-18,21H,6-9,11-12H2,1H3
InChIKeyPYBWEEUEUAAXAQ-UHFFFAOYSA-N
XLogP2.52
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide (CID 70818837) is N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide is Cc1cc(-c2ccc(OCC3COCCC3NS(=O)(=O)C3CC3)cc2)no1.
What is the InChIKey of N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide?
The InChIKey is PYBWEEUEUAAXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-13-10-19(20-26-13)14-2-4-16(5-3-14)25-12-15-11-24-9-8-18(15)21-27(22,23)17-6-7-17/h2-5,10,15,17-18,21H,6-9,11-12H2,1H3.
What are the key properties of N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide?
N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(5-methyl-1,2-oxazol-3-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 70818837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).