[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate

C15H10FNO3S — CID 27370212

IUPAC[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2F)on1)c1cccs1
InChIInChI=1S/C15H10FNO3S/c16-12-5-2-1-4-11(12)13-8-10(17-20-13)9-19-15(18)14-6-3-7-21-14/h1-8H,9H2
InChIKeySYMSVHRTVSDNAK-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.90
Rot. Bonds4

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

[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate (PubChem CID 27370212) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate
PubChem CID27370212
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2F)on1)c1cccs1
InChIInChI=1S/C15H10FNO3S/c16-12-5-2-1-4-11(12)13-8-10(17-20-13)9-19-15(18)14-6-3-7-21-14/h1-8H,9H2
InChIKeySYMSVHRTVSDNAK-UHFFFAOYSA-N
XLogP3.90
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(thiophen-2-yl)-1,2-oxazole-3-carboxylate
CID 2745138
N-[(4-fluorophenyl)methyl]-2-[(5-(2-thienyl)isoxazol-3-yl)methoxy]acetamide
CID 16020739
ethyl 5-[(E)-2-(2-methylsulfanylphenyl)vinyl]isoxazole-3-carboxylate
CID 44480182
Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate
CID 22832030
ethyl 5-[(E)-2-(3-thienyl)vinyl]isoxazole-3-carboxylate
CID 15266755
(5-(2,4-difluorophenyl)isoxazol-3-yl)methyl 2-oxo-2H-pyran-5-carboxylate
CID 45497910
Methyl 5-(2-thienyl)isoxazole-3-carboxylate
CID 1256578
5-(Thiophen-3-yl)-1,2-oxazole-3-carboxylic acid
CID 49949595
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 6622562
[5-(2-Thienyl)-3-isoxazolyl]methyl 2-chloro-6-fluorobenzoate
CID 8647675
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate
CID 8649760
(5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
CID 9203306

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate?
The IUPAC name of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate (CID 27370212) is [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate.
What is the SMILES notation for [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate?
The canonical SMILES for [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate is O=C(OCc1cc(-c2ccccc2F)on1)c1cccs1.
What is the InChIKey of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate?
The InChIKey is SYMSVHRTVSDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c16-12-5-2-1-4-11(12)13-8-10(17-20-13)9-19-15(18)14-6-3-7-21-14/h1-8H,9H2.
What are the key properties of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate?
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate has a molecular weight of 303.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate is sourced from PubChem (CID 27370212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).