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

C10H13ClN4O3S — CID 47359092

IUPAC5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ncn(C)c2Cl)oc1C
InChIInChI=1S/C10H13ClN4O3S/c1-6-7(2)18-8(14-6)4-13-19(16,17)10-9(11)15(3)5-12-10/h5,13H,4H2,1-3H3
InChIKeyXXRNNAULASSJCS-UHFFFAOYSA-N
MW304.76 g/mol
LogP1.16
Rot. Bonds4

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

5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 47359092) has the molecular formula C10H13ClN4O3S and a molecular weight of 304.76 g/mol. Its IUPAC name is 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide
PubChem CID47359092
Molecular FormulaC10H13ClN4O3S
Molecular Weight304.76 g/mol
Exact Mass304.04
IUPAC Name5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ncn(C)c2Cl)oc1C
InChIInChI=1S/C10H13ClN4O3S/c1-6-7(2)18-8(14-6)4-13-19(16,17)10-9(11)15(3)5-12-10/h5,13H,4H2,1-3H3
InChIKeyXXRNNAULASSJCS-UHFFFAOYSA-N
XLogP1.16
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide (CID 47359092) is 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide is Cc1nc(CNS(=O)(=O)c2ncn(C)c2Cl)oc1C.
What is the InChIKey of 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is XXRNNAULASSJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3S/c1-6-7(2)18-8(14-6)4-13-19(16,17)10-9(11)15(3)5-12-10/h5,13H,4H2,1-3H3.
What are the key properties of 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 304.76 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 47359092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).