2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid

C9H12N2O5 — CID 61314082

IUPAC2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nnc(C2CCOC2)o1
InChIInChI=1S/C9H12N2O5/c12-8(13)5-15-4-7-10-11-9(16-7)6-1-2-14-3-6/h6H,1-5H2,(H,12,13)
InChIKeyKIYOMCNVGJPXRQ-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.17
Rot. Bonds5

About 2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid

2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (PubChem CID 61314082) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
PubChem CID61314082
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nnc(C2CCOC2)o1
InChIInChI=1S/C9H12N2O5/c12-8(13)5-15-4-7-10-11-9(16-7)6-1-2-14-3-6/h6H,1-5H2,(H,12,13)
InChIKeyKIYOMCNVGJPXRQ-UHFFFAOYSA-N
XLogP0.17
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 115021308
2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 126990027
3,3-dimethyl-4-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55151252
2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 114771335
4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 104842551
4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62805639
N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 166600679
2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole
CID 129489687
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 115028712
5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382908
N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55151254

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (CID 61314082) is 2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is O=C(O)COCc1nnc(C2CCOC2)o1.
What is the InChIKey of 2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The InChIKey is KIYOMCNVGJPXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c12-8(13)5-15-4-7-10-11-9(16-7)6-1-2-14-3-6/h6H,1-5H2,(H,12,13).
What are the key properties of 2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid has a molecular weight of 228.20 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is sourced from PubChem (CID 61314082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).