4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide

C18H23FN2O3S — CID 11003065

IUPAC4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide
SMILESCC(C)c1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1
InChIInChI=1S/C18H23FN2O3S/c1-11(2)18-21-16(12-6-4-3-5-7-12)17(24-18)13-8-9-15(14(19)10-13)25(20,22)23/h8-12H,3-7H2,1-2H3,(H2,20,22,23)
InChIKeyUKXZLBDDBMTGRF-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.30
Rot. Bonds4

About 4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide

4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide (PubChem CID 11003065) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide
PubChem CID11003065
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Name4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide
SMILESCC(C)c1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1
InChIInChI=1S/C18H23FN2O3S/c1-11(2)18-21-16(12-6-4-3-5-7-12)17(24-18)13-8-9-15(14(19)10-13)25(20,22)23/h8-12H,3-7H2,1-2H3,(H2,20,22,23)
InChIKeyUKXZLBDDBMTGRF-UHFFFAOYSA-N
XLogP4.30
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide (CID 11003065) is 4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide is CC(C)c1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1.
What is the InChIKey of 4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide?
The InChIKey is UKXZLBDDBMTGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c1-11(2)18-21-16(12-6-4-3-5-7-12)17(24-18)13-8-9-15(14(19)10-13)25(20,22)23/h8-12H,3-7H2,1-2H3,(H2,20,22,23).
What are the key properties of 4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide?
4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-2-propan-2-yl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 11003065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).