2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide

C22H25FN2O3S — CID 175827402

IUPAC2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccccc1-c1oc(C)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O3S/c1-4-14-25(15-5-2)29(26,27)20-9-7-6-8-19(20)22-21(24-16(3)28-22)17-10-12-18(23)13-11-17/h6-13H,4-5,14-15H2,1-3H3
InChIKeyPJSSYICZQYDUOH-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.27
Rot. Bonds8

About 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide

2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide (PubChem CID 175827402) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide
PubChem CID175827402
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC Name2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccccc1-c1oc(C)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O3S/c1-4-14-25(15-5-2)29(26,27)20-9-7-6-8-19(20)22-21(24-16(3)28-22)17-10-12-18(23)13-11-17/h6-13H,4-5,14-15H2,1-3H3
InChIKeyPJSSYICZQYDUOH-UHFFFAOYSA-N
XLogP5.27
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide (CID 175827402) is 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccccc1-c1oc(C)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide?
The InChIKey is PJSSYICZQYDUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c1-4-14-25(15-5-2)29(26,27)20-9-7-6-8-19(20)22-21(24-16(3)28-22)17-10-12-18(23)13-11-17/h6-13H,4-5,14-15H2,1-3H3.
What are the key properties of 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide?
2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide has a molecular weight of 416.52 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 175827402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).