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

C13H17N3O4S — CID 35389987

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCOc1ncccc1CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C13H17N3O4S/c1-4-19-13-11(6-5-7-14-13)8-15-21(17,18)12-9(2)16-20-10(12)3/h5-7,15H,4,8H2,1-3H3
InChIKeyBRDQSAJRUNKQRA-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.56
Rot. Bonds6

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

N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 35389987) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID35389987
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCOc1ncccc1CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C13H17N3O4S/c1-4-19-13-11(6-5-7-14-13)8-15-21(17,18)12-9(2)16-20-10(12)3/h5-7,15H,4,8H2,1-3H3
InChIKeyBRDQSAJRUNKQRA-UHFFFAOYSA-N
XLogP1.56
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 35389987) is N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCOc1ncccc1CNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is BRDQSAJRUNKQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-4-19-13-11(6-5-7-14-13)8-15-21(17,18)12-9(2)16-20-10(12)3/h5-7,15H,4,8H2,1-3H3.
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 35389987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).