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

C9H8N2O4S — CID 66439304

IUPAC4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
SMILESCc1noc(COc2csc(C(=O)O)c2)n1
InChIInChI=1S/C9H8N2O4S/c1-5-10-8(15-11-5)3-14-6-2-7(9(12)13)16-4-6/h2,4H,3H2,1H3,(H,12,13)
InChIKeyKUFFTXYDWQGNPA-UHFFFAOYSA-N
MW240.24 g/mol
LogP1.72
Rot. Bonds4

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

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66439304) has the molecular formula C9H8N2O4S and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID66439304
Molecular FormulaC9H8N2O4S
Molecular Weight240.24 g/mol
Exact Mass240.02
IUPAC Name4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
SMILESCc1noc(COc2csc(C(=O)O)c2)n1
InChIInChI=1S/C9H8N2O4S/c1-5-10-8(15-11-5)3-14-6-2-7(9(12)13)16-4-6/h2,4H,3H2,1H3,(H,12,13)
InChIKeyKUFFTXYDWQGNPA-UHFFFAOYSA-N
XLogP1.72
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66439309
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734
4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66436704
4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid
CID 79234546
4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66438656
4-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66439315
4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66437775
3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43516111
(E)-3-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-enoic acid
CID 29018302
4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
CID 66436693
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 66438891
4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66437561

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid (CID 66439304) is 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid is Cc1noc(COc2csc(C(=O)O)c2)n1.
What is the InChIKey of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is KUFFTXYDWQGNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S/c1-5-10-8(15-11-5)3-14-6-2-7(9(12)13)16-4-6/h2,4H,3H2,1H3,(H,12,13).
What are the key properties of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid?
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 240.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66439304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).