[5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate

C18H11FN2O4S — CID 100701048

IUPAC[5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1cc(-c2cccc(F)c2)on1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C18H11FN2O4S/c19-13-3-1-2-11(6-13)16-7-14(21-25-16)9-24-18(22)15-10-26-17(20-15)12-4-5-23-8-12/h1-8,10H,9H2
InChIKeyKXVONJQCLGVSSY-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.55
Rot. Bonds5

About [5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate

[5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate (PubChem CID 100701048) has the molecular formula C18H11FN2O4S and a molecular weight of 370.36 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate
PubChem CID100701048
Molecular FormulaC18H11FN2O4S
Molecular Weight370.36 g/mol
Exact Mass370.04
IUPAC Name[5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1cc(-c2cccc(F)c2)on1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C18H11FN2O4S/c19-13-3-1-2-11(6-13)16-7-14(21-25-16)9-24-18(22)15-10-26-17(20-15)12-4-5-23-8-12/h1-8,10H,9H2
InChIKeyKXVONJQCLGVSSY-UHFFFAOYSA-N
XLogP4.55
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate (CID 100701048) is [5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate is O=C(OCc1cc(-c2cccc(F)c2)on1)c1csc(-c2ccoc2)n1.
What is the InChIKey of [5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is KXVONJQCLGVSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O4S/c19-13-3-1-2-11(6-13)16-7-14(21-25-16)9-24-18(22)15-10-26-17(20-15)12-4-5-23-8-12/h1-8,10H,9H2.
What are the key properties of [5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate?
[5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 100701048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).