methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate

C11H17FN2O3 — CID 166977426

IUPACmethyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate
SMILESCOC(=O)CCCCc1noc(C(C)(C)F)n1
InChIInChI=1S/C11H17FN2O3/c1-11(2,12)10-13-8(14-17-10)6-4-5-7-9(15)16-3/h4-7H2,1-3H3
InChIKeyVMKWUXRVCIJZJG-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.16
Rot. Bonds6

About methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate

methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate (PubChem CID 166977426) has the molecular formula C11H17FN2O3 and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate
PubChem CID166977426
Molecular FormulaC11H17FN2O3
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Namemethyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate
SMILESCOC(=O)CCCCc1noc(C(C)(C)F)n1
InChIInChI=1S/C11H17FN2O3/c1-11(2,12)10-13-8(14-17-10)6-4-5-7-9(15)16-3/h4-7H2,1-3H3
InChIKeyVMKWUXRVCIJZJG-UHFFFAOYSA-N
XLogP2.16
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoate
CID 166977468
5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol
CID 167077907
N-propan-2-yl-4-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]heptanoylamino]benzamide
CID 167308930
1,1,1-trifluoro-2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79797988
methyl 5-(5-bromopyrimidin-2-yl)pentanoate
CID 166977340
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate
CID 62012272

Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate?
The IUPAC name of methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate (CID 166977426) is methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate.
What is the SMILES notation for methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate?
The canonical SMILES for methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate is COC(=O)CCCCc1noc(C(C)(C)F)n1.
What is the InChIKey of methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate?
The InChIKey is VMKWUXRVCIJZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3/c1-11(2,12)10-13-8(14-17-10)6-4-5-7-9(15)16-3/h4-7H2,1-3H3.
What are the key properties of methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate?
methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate has a molecular weight of 244.27 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate is sourced from PubChem (CID 166977426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).