3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide

C21H22FN3O4S — CID 33428902

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H22FN3O4S/c1-15-2-8-18(9-3-15)30(27,28)25-13-12-23-20(26)10-11-21-24-14-19(29-21)16-4-6-17(22)7-5-16/h2-9,14,25H,10-13H2,1H3,(H,23,26)
InChIKeyCYTCBAQYHSJVCN-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.82
Rot. Bonds9

About 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide (PubChem CID 33428902) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
PubChem CID33428902
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H22FN3O4S/c1-15-2-8-18(9-3-15)30(27,28)25-13-12-23-20(26)10-11-21-24-14-19(29-21)16-4-6-17(22)7-5-16/h2-9,14,25H,10-13H2,1H3,(H,23,26)
InChIKeyCYTCBAQYHSJVCN-UHFFFAOYSA-N
XLogP2.82
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55912574
N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 48670903
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18160896
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86848666

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide (CID 33428902) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide?
The InChIKey is CYTCBAQYHSJVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4S/c1-15-2-8-18(9-3-15)30(27,28)25-13-12-23-20(26)10-11-21-24-14-19(29-21)16-4-6-17(22)7-5-16/h2-9,14,25H,10-13H2,1H3,(H,23,26).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide has a molecular weight of 431.49 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 33428902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).