N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide

C22H23F2N3O4S — CID 44603186

IUPACN-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)c1cccc(-c2nc(C(=O)NC(C)c3cc(F)c(NS(C)(=O)=O)c(F)c3)co2)c1
InChIInChI=1S/C22H23F2N3O4S/c1-12(2)14-6-5-7-15(8-14)22-26-19(11-31-22)21(28)25-13(3)16-9-17(23)20(18(24)10-16)27-32(4,29)30/h5-13,27H,1-4H3,(H,25,28)
InChIKeyVYKMCWXCPFFYFC-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.61
Rot. Bonds7

About N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide

N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 44603186) has the molecular formula C22H23F2N3O4S and a molecular weight of 463.51 g/mol. Its IUPAC name is N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID44603186
Molecular FormulaC22H23F2N3O4S
Molecular Weight463.51 g/mol
Exact Mass463.14
IUPAC NameN-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)c1cccc(-c2nc(C(=O)NC(C)c3cc(F)c(NS(C)(=O)=O)c(F)c3)co2)c1
InChIInChI=1S/C22H23F2N3O4S/c1-12(2)14-6-5-7-15(8-14)22-26-19(11-31-22)21(28)25-13(3)16-9-17(23)20(18(24)10-16)27-32(4,29)30/h5-13,27H,1-4H3,(H,25,28)
InChIKeyVYKMCWXCPFFYFC-UHFFFAOYSA-N
XLogP4.61
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide (CID 44603186) is N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide is CC(C)c1cccc(-c2nc(C(=O)NC(C)c3cc(F)c(NS(C)(=O)=O)c(F)c3)co2)c1.
What is the InChIKey of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is VYKMCWXCPFFYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O4S/c1-12(2)14-6-5-7-15(8-14)22-26-19(11-31-22)21(28)25-13(3)16-9-17(23)20(18(24)10-16)27-32(4,29)30/h5-13,27H,1-4H3,(H,25,28).
What are the key properties of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 463.51 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 44603186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).