[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate

C23H19FN2O3S — CID 16603311

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccc(-c2cnc(CCC(=O)OCc3csc(-c4ccc(F)cc4)n3)o2)cc1
InChIInChI=1S/C23H19FN2O3S/c1-15-2-4-16(5-3-15)20-12-25-21(29-20)10-11-22(27)28-13-19-14-30-23(26-19)17-6-8-18(24)9-7-17/h2-9,12,14H,10-11,13H2,1H3
InChIKeyIEKOTMNRMOCDMC-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.59
Rot. Bonds7

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 16603311) has the molecular formula C23H19FN2O3S and a molecular weight of 422.48 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID16603311
Molecular FormulaC23H19FN2O3S
Molecular Weight422.48 g/mol
Exact Mass422.11
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccc(-c2cnc(CCC(=O)OCc3csc(-c4ccc(F)cc4)n3)o2)cc1
InChIInChI=1S/C23H19FN2O3S/c1-15-2-4-16(5-3-15)20-12-25-21(29-20)10-11-22(27)28-13-19-14-30-23(26-19)17-6-8-18(24)9-7-17/h2-9,12,14H,10-11,13H2,1H3
InChIKeyIEKOTMNRMOCDMC-UHFFFAOYSA-N
XLogP5.59
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (CID 16603311) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is Cc1ccc(-c2cnc(CCC(=O)OCc3csc(-c4ccc(F)cc4)n3)o2)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is IEKOTMNRMOCDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3S/c1-15-2-4-16(5-3-15)20-12-25-21(29-20)10-11-22(27)28-13-19-14-30-23(26-19)17-6-8-18(24)9-7-17/h2-9,12,14H,10-11,13H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 422.48 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 16603311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).