N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide

C7H12N2O3S — CID 126987427

IUPACN-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide
SMILESCc1cc([C@@H](C)NS(C)(=O)=O)no1
InChIInChI=1S/C7H12N2O3S/c1-5-4-7(8-12-5)6(2)9-13(3,10)11/h4,6,9H,1-3H3/t6-/m1/s1
InChIKeyBQTMCOFORPIVNI-ZCFIWIBFSA-N
MW204.25 g/mol
LogP0.59
Rot. Bonds3

About N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide

N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide (PubChem CID 126987427) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide
PubChem CID126987427
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC NameN-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide
SMILESCc1cc([C@@H](C)NS(C)(=O)=O)no1
InChIInChI=1S/C7H12N2O3S/c1-5-4-7(8-12-5)6(2)9-13(3,10)11/h4,6,9H,1-3H3/t6-/m1/s1
InChIKeyBQTMCOFORPIVNI-ZCFIWIBFSA-N
XLogP0.59
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide (CID 126987427) is N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide is Cc1cc([C@@H](C)NS(C)(=O)=O)no1.
What is the InChIKey of N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide?
The InChIKey is BQTMCOFORPIVNI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-5-4-7(8-12-5)6(2)9-13(3,10)11/h4,6,9H,1-3H3/t6-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide?
N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide has a molecular weight of 204.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 126987427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).