3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid

C13H18N2O4 — CID 103552140

IUPAC3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESCOC1(c2noc(C3CCC(C(=O)O)C3)n2)CCC1
InChIInChI=1S/C13H18N2O4/c1-18-13(5-2-6-13)12-14-10(19-15-12)8-3-4-9(7-8)11(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyUFUTZZLVTFGKJW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.06
Rot. Bonds4

About 3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid

3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (PubChem CID 103552140) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
PubChem CID103552140
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESCOC1(c2noc(C3CCC(C(=O)O)C3)n2)CCC1
InChIInChI=1S/C13H18N2O4/c1-18-13(5-2-6-13)12-14-10(19-15-12)8-3-4-9(7-8)11(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyUFUTZZLVTFGKJW-UHFFFAOYSA-N
XLogP2.06
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 114173552
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116743162
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 104612063
cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 155266234
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116742445
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116743243
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 116781727
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116780823
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 116744092
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 107925281
(3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912536
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 103552158

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (CID 103552140) is 3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is COC1(c2noc(C3CCC(C(=O)O)C3)n2)CCC1.
What is the InChIKey of 3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The InChIKey is UFUTZZLVTFGKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-13(5-2-6-13)12-14-10(19-15-12)8-3-4-9(7-8)11(16)17/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103552140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).