N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide

C20H19FN2O4S — CID 55746214

IUPACN-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide
SMILESCC(C(=O)NCc1ccc(F)cc1)S(=O)(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C20H19FN2O4S/c1-14(19(24)22-11-15-7-9-17(21)10-8-15)28(25,26)13-18-12-27-20(23-18)16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3,(H,22,24)
InChIKeyGDKLRXAESQRCGG-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.10
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide

N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide (PubChem CID 55746214) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide
PubChem CID55746214
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide
SMILESCC(C(=O)NCc1ccc(F)cc1)S(=O)(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C20H19FN2O4S/c1-14(19(24)22-11-15-7-9-17(21)10-8-15)28(25,26)13-18-12-27-20(23-18)16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3,(H,22,24)
InChIKeyGDKLRXAESQRCGG-UHFFFAOYSA-N
XLogP3.10
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide (CID 55746214) is N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide is CC(C(=O)NCc1ccc(F)cc1)S(=O)(=O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide?
The InChIKey is GDKLRXAESQRCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S/c1-14(19(24)22-11-15-7-9-17(21)10-8-15)28(25,26)13-18-12-27-20(23-18)16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide?
N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide has a molecular weight of 402.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 55746214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).