N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide

C21H23N3O5S — CID 86630911

IUPACN-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
SMILESCCCCS(=O)(=O)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1
InChIInChI=1S/C21H23N3O5S/c1-3-4-12-30(26,27)24-21(25)17-10-11-19(22-13-17)28-14-18-15(2)29-23-20(18)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,25)
InChIKeyRHARVCJGBVKURN-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.48
Rot. Bonds9

About N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide

N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide (PubChem CID 86630911) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
PubChem CID86630911
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
SMILESCCCCS(=O)(=O)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1
InChIInChI=1S/C21H23N3O5S/c1-3-4-12-30(26,27)24-21(25)17-10-11-19(22-13-17)28-14-18-15(2)29-23-20(18)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,25)
InChIKeyRHARVCJGBVKURN-UHFFFAOYSA-N
XLogP3.48
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide (CID 86630911) is N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide is CCCCS(=O)(=O)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1.
What is the InChIKey of N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The InChIKey is RHARVCJGBVKURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-3-4-12-30(26,27)24-21(25)17-10-11-19(22-13-17)28-14-18-15(2)29-23-20(18)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,25).
What are the key properties of N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 86630911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).