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

C19H19F2N3O4S — CID 53318166

IUPACN-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc(-c2cccnc2OC(F)F)cc1
InChIInChI=1S/C19H19F2N3O4S/c1-11(24-29(25,26)17-12(2)23-28-13(17)3)14-6-8-15(9-7-14)16-5-4-10-22-18(16)27-19(20)21/h4-11,19,24H,1-3H3/t11-/m1/s1
InChIKeyAVAMLNIBPCMXPJ-LLVKDONJSA-N
MW423.44 g/mol
LogP3.99
Rot. Bonds7

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

N-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 53318166) has the molecular formula C19H19F2N3O4S and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID53318166
Molecular FormulaC19H19F2N3O4S
Molecular Weight423.44 g/mol
Exact Mass423.11
IUPAC NameN-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc(-c2cccnc2OC(F)F)cc1
InChIInChI=1S/C19H19F2N3O4S/c1-11(24-29(25,26)17-12(2)23-28-13(17)3)14-6-8-15(9-7-14)16-5-4-10-22-18(16)27-19(20)21/h4-11,19,24H,1-3H3/t11-/m1/s1
InChIKeyAVAMLNIBPCMXPJ-LLVKDONJSA-N
XLogP3.99
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 53318166) is N-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc(-c2cccnc2OC(F)F)cc1.
What is the InChIKey of N-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is AVAMLNIBPCMXPJ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19F2N3O4S/c1-11(24-29(25,26)17-12(2)23-28-13(17)3)14-6-8-15(9-7-14)16-5-4-10-22-18(16)27-19(20)21/h4-11,19,24H,1-3H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(1R)-1-[4-[2-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 423.44 g/mol, XLogP of 3.99, 7 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-(difluoromethoxy)-3-pyridinyl]phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 53318166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).