methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate

C9H14N2O3 — CID 79474456

IUPACmethyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCCCc1noc(CC(=O)OC)n1
InChIInChI=1S/C9H14N2O3/c1-3-4-5-7-10-8(14-11-7)6-9(12)13-2/h3-6H2,1-2H3
InChIKeyUCJMNRACMRGARF-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.13
Rot. Bonds5

About methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate

methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate (PubChem CID 79474456) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate
PubChem CID79474456
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namemethyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCCCc1noc(CC(=O)OC)n1
InChIInChI=1S/C9H14N2O3/c1-3-4-5-7-10-8(14-11-7)6-9(12)13-2/h3-6H2,1-2H3
InChIKeyUCJMNRACMRGARF-UHFFFAOYSA-N
XLogP1.13
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474749
methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate
CID 62012272
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-one
CID 79412961
2-(3-pentyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 70237676
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475312
methyl 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 103473228
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436449
2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid
CID 156545682
methyl 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474499
methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60724693
methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474343

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate?
The IUPAC name of methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate (CID 79474456) is methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate?
The canonical SMILES for methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate is CCCCc1noc(CC(=O)OC)n1.
What is the InChIKey of methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate?
The InChIKey is UCJMNRACMRGARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-4-5-7-10-8(14-11-7)6-9(12)13-2/h3-6H2,1-2H3.
What are the key properties of methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate?
methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate has a molecular weight of 198.22 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate is sourced from PubChem (CID 79474456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).