2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid

C9H13N3O3 — CID 115078262

IUPAC2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
SMILESO=C(O)Cc1noc(CC2CCCN2)n1
InChIInChI=1S/C9H13N3O3/c13-9(14)5-7-11-8(15-12-7)4-6-2-1-3-10-6/h6,10H,1-5H2,(H,13,14)
InChIKeyFYXKJMPMRYMNDZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.01
Rot. Bonds4

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

2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid (PubChem CID 115078262) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
PubChem CID115078262
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
SMILESO=C(O)Cc1noc(CC2CCCN2)n1
InChIInChI=1S/C9H13N3O3/c13-9(14)5-7-11-8(15-12-7)4-6-2-1-3-10-6/h6,10H,1-5H2,(H,13,14)
InChIKeyFYXKJMPMRYMNDZ-UHFFFAOYSA-N
XLogP-0.01
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 115080506
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
3-(ethylsulfanylmethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65130998
3-(2-phenoxyethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371729
3-[(2-chlorophenyl)methyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119947691
3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371735
2-[5-[(1,1-dioxothian-2-yl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 115078447
3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65389898
5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82007711
N-ethyl-N-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116808442
3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081647
1-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078529

Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid (CID 115078262) is 2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid is O=C(O)Cc1noc(CC2CCCN2)n1.
What is the InChIKey of 2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid?
The InChIKey is FYXKJMPMRYMNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-9(14)5-7-11-8(15-12-7)4-6-2-1-3-10-6/h6,10H,1-5H2,(H,13,14).
What are the key properties of 2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid?
2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid has a molecular weight of 211.22 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid is sourced from PubChem (CID 115078262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).