N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide

C11H20N2O4S — CID 54916580

IUPACN-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(CCCO)C(C)C)no1
InChIInChI=1S/C11H20N2O4S/c1-9(2)13(5-4-6-14)18(15,16)8-11-7-10(3)17-12-11/h7,9,14H,4-6,8H2,1-3H3
InChIKeyUJCPWDTUENCYFA-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.91
Rot. Bonds7

About N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide

N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide (PubChem CID 54916580) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide
PubChem CID54916580
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(CCCO)C(C)C)no1
InChIInChI=1S/C11H20N2O4S/c1-9(2)13(5-4-6-14)18(15,16)8-11-7-10(3)17-12-11/h7,9,14H,4-6,8H2,1-3H3
InChIKeyUJCPWDTUENCYFA-UHFFFAOYSA-N
XLogP0.91
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide (CID 54916580) is N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide is Cc1cc(CS(=O)(=O)N(CCCO)C(C)C)no1.
What is the InChIKey of N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is UJCPWDTUENCYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-9(2)13(5-4-6-14)18(15,16)8-11-7-10(3)17-12-11/h7,9,14H,4-6,8H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide?
N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 54916580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).