3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid

C14H10N2O4S — CID 63336257

IUPAC3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H10N2O4S/c17-14(18)12-10(6-7-21-12)19-8-11-15-13(20-16-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyASOHFTBRXNKNIS-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.08
Rot. Bonds5

About 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid

3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 63336257) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID63336257
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H10N2O4S/c17-14(18)12-10(6-7-21-12)19-8-11-15-13(20-16-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyASOHFTBRXNKNIS-UHFFFAOYSA-N
XLogP3.08
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63336486
2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 59402902
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 55201373
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
1-[3-methoxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 86992137
3-[(2,6-dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 78848420
3-(quinolin-2-ylmethoxy)thiophene-2-carboxylic acid
CID 63338487
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338533
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 162656743
2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 71279247

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid (CID 63336257) is 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid is O=C(O)c1sccc1OCc1noc(-c2ccccc2)n1.
What is the InChIKey of 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is ASOHFTBRXNKNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c17-14(18)12-10(6-7-21-12)19-8-11-15-13(20-16-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18).
What are the key properties of 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid?
3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63336257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).