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

C7H12N2O3S — CID 47359097

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
SMILESCc1nc(CNS(C)(=O)=O)oc1C
InChIInChI=1S/C7H12N2O3S/c1-5-6(2)12-7(9-5)4-8-13(3,10)11/h8H,4H2,1-3H3
InChIKeyJQXDNAWZZUQTIU-UHFFFAOYSA-N
MW204.25 g/mol
LogP0.34
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide (PubChem CID 47359097) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
PubChem CID47359097
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
SMILESCc1nc(CNS(C)(=O)=O)oc1C
InChIInChI=1S/C7H12N2O3S/c1-5-6(2)12-7(9-5)4-8-13(3,10)11/h8H,4H2,1-3H3
InChIKeyJQXDNAWZZUQTIU-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Aminomethyl)-2,5-dimethyl-1,3-oxazole
CID 16658924
(4,5-Dimethyl-1,3-Oxazol-2-Yl)Methanamine
CID 28293489
(Dimethyl-1,3-oxazol-2-yl)methanamine dihydrochloride
CID 137838497
1-[4-Methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine
CID 82401520
[4-Methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine
CID 82409257
[5-(Fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 84762816
1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine
CID 84763992
1-[5-(Fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
CID 84763993
[5-(Difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 84764442
1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine
CID 84767052
1-[5-(Difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
CID 84767053
[5-Methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine
CID 105438501

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide (CID 47359097) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide is Cc1nc(CNS(C)(=O)=O)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
The InChIKey is JQXDNAWZZUQTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-5-6(2)12-7(9-5)4-8-13(3,10)11/h8H,4H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide has a molecular weight of 204.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 47359097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).