4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid

C13H14N2O4S — CID 82906602

IUPAC4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1Cc1cc(-c2ccco2)on1
InChIInChI=1S/C13H14N2O4S/c16-13(17)10-8-20-5-3-15(10)7-9-6-12(19-14-9)11-2-1-4-18-11/h1-2,4,6,10H,3,5,7-8H2,(H,16,17)
InChIKeyJYPWFYWZEQLQSS-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.94
Rot. Bonds4

About 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid

4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid (PubChem CID 82906602) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid
PubChem CID82906602
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1Cc1cc(-c2ccco2)on1
InChIInChI=1S/C13H14N2O4S/c16-13(17)10-8-20-5-3-15(10)7-9-6-12(19-14-9)11-2-1-4-18-11/h1-2,4,6,10H,3,5,7-8H2,(H,16,17)
InChIKeyJYPWFYWZEQLQSS-UHFFFAOYSA-N
XLogP1.94
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43441750
4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid
CID 82906606
2-[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]acetic acid
CID 61372120
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid
CID 43440721
(3R)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94343776
[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]methanol
CID 60685086
(3S,4S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953932
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid
CID 66442973
4-[(3-methoxyphenyl)methyl]thiomorpholine-3-carboxylic acid
CID 82906012
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
CID 43241616
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80703636

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid (CID 82906602) is 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1Cc1cc(-c2ccco2)on1.
What is the InChIKey of 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid?
The InChIKey is JYPWFYWZEQLQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-13(17)10-8-20-5-3-15(10)7-9-6-12(19-14-9)11-2-1-4-18-11/h1-2,4,6,10H,3,5,7-8H2,(H,16,17).
What are the key properties of 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid?
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82906602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).