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

C8H13ClN2O3S — CID 79237652

IUPAC1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)CCl
InChIInChI=1S/C8H13ClN2O3S/c1-5-8(7(3)14-10-5)6(2)11-15(12,13)4-9/h6,11H,4H2,1-3H3
InChIKeyBUWYVVNAOPYSDN-UHFFFAOYSA-N
MW252.72 g/mol
LogP1.47
Rot. Bonds4

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

1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide (PubChem CID 79237652) has the molecular formula C8H13ClN2O3S and a molecular weight of 252.72 g/mol. Its IUPAC name is 1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
PubChem CID79237652
Molecular FormulaC8H13ClN2O3S
Molecular Weight252.72 g/mol
Exact Mass252.03
IUPAC Name1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)CCl
InChIInChI=1S/C8H13ClN2O3S/c1-5-8(7(3)14-10-5)6(2)11-15(12,13)4-9/h6,11H,4H2,1-3H3
InChIKeyBUWYVVNAOPYSDN-UHFFFAOYSA-N
XLogP1.47
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide
CID 79241633
(2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
CID 97065841
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 79236641
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 78961556
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propanamide
CID 79237007
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide
CID 81245889
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide
CID 79242650
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 79237898
3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 79223860
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide
CID 79232497
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid
CID 167974119

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide (CID 79237652) is 1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide is Cc1noc(C)c1C(C)NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is BUWYVVNAOPYSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O3S/c1-5-8(7(3)14-10-5)6(2)11-15(12,13)4-9/h6,11H,4H2,1-3H3.
What are the key properties of 1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide?
1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 252.72 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 79237652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).