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

C19H21N3O4S — CID 53316852

IUPACN-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ncccc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C19H21N3O4S/c1-12(22-27(23,24)18-13(2)21-26-14(18)3)15-7-9-16(10-8-15)17-6-5-11-20-19(17)25-4/h5-12,22H,1-4H3/t12-/m1/s1
InChIKeyCFIDWZDWJPSPGZ-GFCCVEGCSA-N
MW387.46 g/mol
LogP3.40
Rot. Bonds6

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

N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 53316852) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID53316852
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ncccc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C19H21N3O4S/c1-12(22-27(23,24)18-13(2)21-26-14(18)3)15-7-9-16(10-8-15)17-6-5-11-20-19(17)25-4/h5-12,22H,1-4H3/t12-/m1/s1
InChIKeyCFIDWZDWJPSPGZ-GFCCVEGCSA-N
XLogP3.40
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-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-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 53316852) is N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ncccc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is CFIDWZDWJPSPGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12(22-27(23,24)18-13(2)21-26-14(18)3)15-7-9-16(10-8-15)17-6-5-11-20-19(17)25-4/h5-12,22H,1-4H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 387.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 53316852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).