2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid

C9H6FNO3S — CID 130594399

IUPAC2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2sccc2F)nc1C(=O)O
InChIInChI=1S/C9H6FNO3S/c1-4-6(9(12)13)11-8(14-4)7-5(10)2-3-15-7/h2-3H,1H3,(H,12,13)
InChIKeyRDHWBGKPHHRVAQ-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.55
Rot. Bonds2

About 2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid

2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 130594399) has the molecular formula C9H6FNO3S and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID130594399
Molecular FormulaC9H6FNO3S
Molecular Weight227.22 g/mol
Exact Mass227.01
IUPAC Name2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2sccc2F)nc1C(=O)O
InChIInChI=1S/C9H6FNO3S/c1-4-6(9(12)13)11-8(14-4)7-5(10)2-3-15-7/h2-3H,1H3,(H,12,13)
InChIKeyRDHWBGKPHHRVAQ-UHFFFAOYSA-N
XLogP2.55
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazole-4-carboxylate
CID 13583381
2-(5-Methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl)acetic acid
CID 16227840
5-Methyl-2-(thiophen-2-yl)oxazole-4-carbaldehyde
CID 28063458
4,5-Dimethyl-2-thien-2-yl-1,3-oxazole 3-oxide
CID 6602871
5-Ethoxy-2-(thiophen-2-yl)-1,3-oxazole-4-carboxylic acid
CID 16227582
5-Methyl-2-(thiophen-2-yl)-1,3-oxazole-4-carboxylic acid
CID 20118829
4-Methyl-2-(thiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 65712442
2-[[5-Methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methylsulfanyl]acetic acid
CID 6624352
4,5-Dimethyl-2-thiophen-2-yl-oxazole
CID 10375014
Ethyl 5-Methyl-2-(2-thienyl)oxazole-4-carboxylate
CID 20370909
4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium
CID 3236827
3,3,3-Trifluoropropyl 2-[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]acetate
CID 99628868

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 130594399) is 2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc(-c2sccc2F)nc1C(=O)O.
What is the InChIKey of 2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is RDHWBGKPHHRVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO3S/c1-4-6(9(12)13)11-8(14-4)7-5(10)2-3-15-7/h2-3H,1H3,(H,12,13).
What are the key properties of 2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorothiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 130594399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).