2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid

C9H7NO4S — CID 106920681

IUPAC2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CSc1ncco1
InChIInChI=1S/C9H7NO4S/c11-8(12)6-1-3-13-7(6)5-15-9-10-2-4-14-9/h1-4H,5H2,(H,11,12)
InChIKeyXHTACKIGNZMIRP-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.26
Rot. Bonds4

About 2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid

2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid (PubChem CID 106920681) has the molecular formula C9H7NO4S and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
PubChem CID106920681
Molecular FormulaC9H7NO4S
Molecular Weight225.22 g/mol
Exact Mass225.01
IUPAC Name2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CSc1ncco1
InChIInChI=1S/C9H7NO4S/c11-8(12)6-1-3-13-7(6)5-15-9-10-2-4-14-9/h1-4H,5H2,(H,11,12)
InChIKeyXHTACKIGNZMIRP-UHFFFAOYSA-N
XLogP2.26
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-3-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 107119917
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylic acid
CID 104602563
5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 106926129
3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 106926135
[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927256
[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol
CID 106923568
2-bromo-3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 107540893
2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid
CID 823830
2-(3-hydroxypropylsulfanylmethyl)furan-3-carboxylic acid
CID 66113807
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)furan-3-carboxylic acid
CID 43416927
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-3-carboxylic acid
CID 79134512
2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
CID 106920713

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid (CID 106920681) is 2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid is O=C(O)c1ccoc1CSc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid?
The InChIKey is XHTACKIGNZMIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4S/c11-8(12)6-1-3-13-7(6)5-15-9-10-2-4-14-9/h1-4H,5H2,(H,11,12).
What are the key properties of 2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid?
2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 106920681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).