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

C14H9FN2O3S — CID 58119370

IUPACmethyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2coc(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C14H9FN2O3S/c1-19-14(18)11-7-21-13(17-11)10-6-20-12(16-10)8-2-4-9(15)5-3-8/h2-7H,1H3
InChIKeyFCWNNRMBLJCXQY-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.39
Rot. Bonds3

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

methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate (PubChem CID 58119370) has the molecular formula C14H9FN2O3S and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate
PubChem CID58119370
Molecular FormulaC14H9FN2O3S
Molecular Weight304.30 g/mol
Exact Mass304.03
IUPAC Namemethyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2coc(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C14H9FN2O3S/c1-19-14(18)11-7-21-13(17-11)10-6-20-12(16-10)8-2-4-9(15)5-3-8/h2-7H,1H3
InChIKeyFCWNNRMBLJCXQY-UHFFFAOYSA-N
XLogP3.39
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate
CID 58119372
2,4-bis(4-fluorophenyl)-1,3-oxazole
CID 21176471
methyl 2-(6-bromo-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498453
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
1-(4-fluorophenyl)-3-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 50835548
2-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxazole
CID 102468704
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate
CID 169498441
methyl 2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 78918624
methyl 2-[1-(4-fluorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 113306846
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824461

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate (CID 58119370) is methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2coc(-c3ccc(F)cc3)n2)n1.
What is the InChIKey of methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is FCWNNRMBLJCXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3S/c1-19-14(18)11-7-21-13(17-11)10-6-20-12(16-10)8-2-4-9(15)5-3-8/h2-7H,1H3.
What are the key properties of methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate?
methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 58119370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).