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

C13H14N4O3 — CID 103552121

IUPAC3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESCc1nccc(-c2noc(C3CCC(C(=O)O)C3)n2)n1
InChIInChI=1S/C13H14N4O3/c1-7-14-5-4-10(15-7)11-16-12(20-17-11)8-2-3-9(6-8)13(18)19/h4-5,8-9H,2-3,6H2,1H3,(H,18,19)
InChIKeyVWTAZPXRMWRAGN-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.80
Rot. Bonds3

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

3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (PubChem CID 103552121) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
PubChem CID103552121
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESCc1nccc(-c2noc(C3CCC(C(=O)O)C3)n2)n1
InChIInChI=1S/C13H14N4O3/c1-7-14-5-4-10(15-7)11-16-12(20-17-11)8-2-3-9(6-8)13(18)19/h4-5,8-9H,2-3,6H2,1H3,(H,18,19)
InChIKeyVWTAZPXRMWRAGN-UHFFFAOYSA-N
XLogP1.80
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 115531494
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552019
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474196
5-(4-methoxypyrrolidin-2-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 115529362
3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552103
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 107925281
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 103552158
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552004
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 113329298
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552070
4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024882

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (CID 103552121) is 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is Cc1nccc(-c2noc(C3CCC(C(=O)O)C3)n2)n1.
What is the InChIKey of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The InChIKey is VWTAZPXRMWRAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-7-14-5-4-10(15-7)11-16-12(20-17-11)8-2-3-9(6-8)13(18)19/h4-5,8-9H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103552121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).