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

C11H11NO4S — CID 63338533

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESCc1noc(C)c1COc1ccsc1C(=O)O
InChIInChI=1S/C11H11NO4S/c1-6-8(7(2)16-12-6)5-15-9-3-4-17-10(9)11(13)14/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyYRYDCXVNMVOTQH-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.63
Rot. Bonds4

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 63338533) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID63338533
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESCc1noc(C)c1COc1ccsc1C(=O)O
InChIInChI=1S/C11H11NO4S/c1-6-8(7(2)16-12-6)5-15-9-3-4-17-10(9)11(13)14/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyYRYDCXVNMVOTQH-UHFFFAOYSA-N
XLogP2.63
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-iodobenzoic acid
CID 114103458
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438
3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid
CID 102880260
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338532
3,5-dichloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771268
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-hydroxybenzoic acid
CID 10264729
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methylbenzoic acid
CID 82165950
3-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 61391170
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 55201373
3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336500
3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 63336257
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxybenzoate
CID 30234133

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid (CID 63338533) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid is Cc1noc(C)c1COc1ccsc1C(=O)O.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is YRYDCXVNMVOTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-6-8(7(2)16-12-6)5-15-9-3-4-17-10(9)11(13)14/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 253.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63338533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).