2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid

C13H15N3O4S — CID 66442973

IUPAC2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C13H15N3O4S/c17-12(18)6-9-8-21-5-3-16(9)7-11-14-13(15-20-11)10-2-1-4-19-10/h1-2,4,9H,3,5-8H2,(H,17,18)
InChIKeyKVGFEPBPPDQIDJ-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.72
Rot. Bonds5

About 2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid

2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66442973) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid
PubChem CID66442973
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C13H15N3O4S/c17-12(18)6-9-8-21-5-3-16(9)7-11-14-13(15-20-11)10-2-1-4-19-10/h1-2,4,9H,3,5-8H2,(H,17,18)
InChIKeyKVGFEPBPPDQIDJ-UHFFFAOYSA-N
XLogP1.72
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid with MolForge

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Related Compounds

2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]thiomorpholin-3-yl]acetic acid
CID 66443177
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
2-[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]acetic acid
CID 61372120
[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea
CID 95382626
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926914
2-(4-benzylthiomorpholin-3-yl)acetic acid
CID 66442992
[(2R)-1-[[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 95972817
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
1-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490396
2-[4-[(2,3-difluorophenyl)methyl]thiomorpholin-3-yl]acetic acid
CID 66444778
methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 37258274
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid (CID 66442973) is 2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1Cc1nc(-c2ccco2)no1.
What is the InChIKey of 2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is KVGFEPBPPDQIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c17-12(18)6-9-8-21-5-3-16(9)7-11-14-13(15-20-11)10-2-1-4-19-10/h1-2,4,9H,3,5-8H2,(H,17,18).
What are the key properties of 2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid?
2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 309.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66442973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).