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

C22H24FN3O3S — CID 123897651

IUPAC2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide
SMILESCc1ncc(C2(c3cc(NC(=O)C(C)(C)Sc4ccc(F)cc4)on3)CCCC2)o1
InChIInChI=1S/C22H24FN3O3S/c1-14-24-13-18(28-14)22(10-4-5-11-22)17-12-19(29-26-17)25-20(27)21(2,3)30-16-8-6-15(23)7-9-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,25,27)
InChIKeyDANIVPPZSHWFSR-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.48
Rot. Bonds6

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

2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide (PubChem CID 123897651) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide
PubChem CID123897651
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC Name2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide
SMILESCc1ncc(C2(c3cc(NC(=O)C(C)(C)Sc4ccc(F)cc4)on3)CCCC2)o1
InChIInChI=1S/C22H24FN3O3S/c1-14-24-13-18(28-14)22(10-4-5-11-22)17-12-19(29-26-17)25-20(27)21(2,3)30-16-8-6-15(23)7-9-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,25,27)
InChIKeyDANIVPPZSHWFSR-UHFFFAOYSA-N
XLogP5.48
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide (CID 123897651) is 2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide is Cc1ncc(C2(c3cc(NC(=O)C(C)(C)Sc4ccc(F)cc4)on3)CCCC2)o1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide?
The InChIKey is DANIVPPZSHWFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-14-24-13-18(28-14)22(10-4-5-11-22)17-12-19(29-26-17)25-20(27)21(2,3)30-16-8-6-15(23)7-9-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide?
2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide has a molecular weight of 429.52 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 123897651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).