3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide

C17H18N4O3S — CID 2738476

IUPAC3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C17H18N4O3S/c1-13-17(14(2)24-20-13)25(22,23)21(11-15-7-3-5-9-18-15)12-16-8-4-6-10-19-16/h3-10H,11-12H2,1-2H3
InChIKeyWAWAVDWYYQDIEB-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.47
Rot. Bonds6

About 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide (PubChem CID 2738476) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide
PubChem CID2738476
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C17H18N4O3S/c1-13-17(14(2)24-20-13)25(22,23)21(11-15-7-3-5-9-18-15)12-16-8-4-6-10-19-16/h3-10H,11-12H2,1-2H3
InChIKeyWAWAVDWYYQDIEB-UHFFFAOYSA-N
XLogP2.47
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide (CID 2738476) is 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is WAWAVDWYYQDIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-13-17(14(2)24-20-13)25(22,23)21(11-15-7-3-5-9-18-15)12-16-8-4-6-10-19-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 2738476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).