N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H15N3O4S — CID 75459964

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(C)noc2C)cn1
InChIInChI=1S/C12H15N3O4S/c1-8-12(9(2)19-15-8)20(16,17)14-7-10-4-5-11(18-3)13-6-10/h4-6,14H,7H2,1-3H3
InChIKeyABAILESCQZOMKH-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.17
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 75459964) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID75459964
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(C)noc2C)cn1
InChIInChI=1S/C12H15N3O4S/c1-8-12(9(2)19-15-8)20(16,17)14-7-10-4-5-11(18-3)13-6-10/h4-6,14H,7H2,1-3H3
InChIKeyABAILESCQZOMKH-UHFFFAOYSA-N
XLogP1.17
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 75459964) is N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ccc(CNS(=O)(=O)c2c(C)noc2C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ABAILESCQZOMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8-12(9(2)19-15-8)20(16,17)14-7-10-4-5-11(18-3)13-6-10/h4-6,14H,7H2,1-3H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 75459964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).