N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H20N2O6S — CID 2812611

IUPACN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(OCC(O)CNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C15H20N2O6S/c1-10-15(11(2)23-17-10)24(19,20)16-8-12(18)9-22-14-6-4-13(21-3)5-7-14/h4-7,12,16,18H,8-9H2,1-3H3
InChIKeyMMJAKNFZVLYRTO-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.02
Rot. Bonds8

About N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 2812611) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID2812611
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(OCC(O)CNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C15H20N2O6S/c1-10-15(11(2)23-17-10)24(19,20)16-8-12(18)9-22-14-6-4-13(21-3)5-7-14/h4-7,12,16,18H,8-9H2,1-3H3
InChIKeyMMJAKNFZVLYRTO-UHFFFAOYSA-N
XLogP1.02
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 2812611) is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ccc(OCC(O)CNS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MMJAKNFZVLYRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-10-15(11(2)23-17-10)24(19,20)16-8-12(18)9-22-14-6-4-13(21-3)5-7-14/h4-7,12,16,18H,8-9H2,1-3H3.
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 356.40 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 2812611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).