4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid

C14H10N2O4 — CID 104798239

IUPAC4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
SMILESCc1ccoc1-c1noc(-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C14H10N2O4/c1-8-6-7-19-11(8)12-15-13(20-16-12)9-2-4-10(5-3-9)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyUTVXAEUKTDAYQT-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.00
Rot. Bonds3

About 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid

4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid (PubChem CID 104798239) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
PubChem CID104798239
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
SMILESCc1ccoc1-c1noc(-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C14H10N2O4/c1-8-6-7-19-11(8)12-15-13(20-16-12)9-2-4-10(5-3-9)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyUTVXAEUKTDAYQT-UHFFFAOYSA-N
XLogP3.00
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 63382464
4-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 61339932
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813540
3,3-dimethyl-1-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 113455522
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate
CID 104798232
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526813
4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136914623
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104797778
5-(chloromethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797636
6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid
CID 104807222
4-bromo-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104798109

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid?
The IUPAC name of 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid (CID 104798239) is 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid?
The canonical SMILES for 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid is Cc1ccoc1-c1noc(-c2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid?
The InChIKey is UTVXAEUKTDAYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-8-6-7-19-11(8)12-15-13(20-16-12)9-2-4-10(5-3-9)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid?
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid has a molecular weight of 270.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid is sourced from PubChem (CID 104798239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).