N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide

C10H19N3O3S — CID 56805603

IUPACN-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide
SMILESCc1nc(CN(C)CCNS(C)(=O)=O)oc1C
InChIInChI=1S/C10H19N3O3S/c1-8-9(2)16-10(12-8)7-13(3)6-5-11-17(4,14)15/h11H,5-7H2,1-4H3
InChIKeySZXXRZPAKHKXAG-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.27
Rot. Bonds6

About N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide

N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide (PubChem CID 56805603) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide
PubChem CID56805603
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide
SMILESCc1nc(CN(C)CCNS(C)(=O)=O)oc1C
InChIInChI=1S/C10H19N3O3S/c1-8-9(2)16-10(12-8)7-13(3)6-5-11-17(4,14)15/h11H,5-7H2,1-4H3
InChIKeySZXXRZPAKHKXAG-UHFFFAOYSA-N
XLogP0.27
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide (CID 56805603) is N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide is Cc1nc(CN(C)CCNS(C)(=O)=O)oc1C.
What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide?
The InChIKey is SZXXRZPAKHKXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-8-9(2)16-10(12-8)7-13(3)6-5-11-17(4,14)15/h11H,5-7H2,1-4H3.
What are the key properties of N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide?
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 56805603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).