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

C18H18FN3O4S — CID 67246545

IUPACN-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ncc(F)cc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C18H18FN3O4S/c1-11-17(12(2)26-22-11)27(23,24)21-9-13-4-6-14(7-5-13)16-8-15(19)10-20-18(16)25-3/h4-8,10,21H,9H2,1-3H3
InChIKeyHKNKLHLBVSKDMP-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.98
Rot. Bonds6

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

N-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 67246545) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID67246545
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ncc(F)cc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C18H18FN3O4S/c1-11-17(12(2)26-22-11)27(23,24)21-9-13-4-6-14(7-5-13)16-8-15(19)10-20-18(16)25-3/h4-8,10,21H,9H2,1-3H3
InChIKeyHKNKLHLBVSKDMP-UHFFFAOYSA-N
XLogP2.98
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 67246545) is N-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ncc(F)cc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is HKNKLHLBVSKDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c1-11-17(12(2)26-22-11)27(23,24)21-9-13-4-6-14(7-5-13)16-8-15(19)10-20-18(16)25-3/h4-8,10,21H,9H2,1-3H3.
What are the key properties of N-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 391.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 67246545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).