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

C14H10N2O4S — CID 43214779

IUPAC2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1nc(-c2ccsc2)no1
InChIInChI=1S/C14H10N2O4S/c17-14(18)10-3-1-2-4-11(10)19-7-12-15-13(16-20-12)9-5-6-21-8-9/h1-6,8H,7H2,(H,17,18)
InChIKeyBNDCFXNRWCKADW-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.08
Rot. Bonds5

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

2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid (PubChem CID 43214779) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
PubChem CID43214779
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1nc(-c2ccsc2)no1
InChIInChI=1S/C14H10N2O4S/c17-14(18)10-3-1-2-4-11(10)19-7-12-15-13(16-20-12)9-5-6-21-8-9/h1-6,8H,7H2,(H,17,18)
InChIKeyBNDCFXNRWCKADW-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

N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 9354612
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
6-chloro-4-phenyl-7-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 18208845
2-(thiophen-3-ylmethoxy)benzoic acid
CID 43646082
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55476823
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 25238409
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridine-3-carboxylate
CID 24520869
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 54908982
4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 43627834

Frequently Asked Questions

What is the IUPAC name of 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid (CID 43214779) is 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid is O=C(O)c1ccccc1OCc1nc(-c2ccsc2)no1.
What is the InChIKey of 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
The InChIKey is BNDCFXNRWCKADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c17-14(18)10-3-1-2-4-11(10)19-7-12-15-13(16-20-12)9-5-6-21-8-9/h1-6,8H,7H2,(H,17,18).
What are the key properties of 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic 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 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 43214779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).