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

C15H22N2O4 — CID 103985919

IUPAC2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(CC3CCOC3)no2)CCCC1
InChIInChI=1S/C15H22N2O4/c18-14(19)9-15(4-1-2-5-15)8-13-16-12(17-21-13)7-11-3-6-20-10-11/h11H,1-10H2,(H,18,19)
InChIKeyNNZWDYGDQYKCAM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.23
Rot. Bonds6

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

2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (PubChem CID 103985919) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
PubChem CID103985919
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(CC3CCOC3)no2)CCCC1
InChIInChI=1S/C15H22N2O4/c18-14(19)9-15(4-1-2-5-15)8-13-16-12(17-21-13)7-11-3-6-20-10-11/h11H,1-10H2,(H,18,19)
InChIKeyNNZWDYGDQYKCAM-UHFFFAOYSA-N
XLogP2.23
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (CID 103985919) is 2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is O=C(O)CC1(Cc2nc(CC3CCOC3)no2)CCCC1.
What is the InChIKey of 2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The InChIKey is NNZWDYGDQYKCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-14(19)9-15(4-1-2-5-15)8-13-16-12(17-21-13)7-11-3-6-20-10-11/h11H,1-10H2,(H,18,19).
What are the key properties of 2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 103985919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).