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

C10H16N2O3 — CID 60561980

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate
SMILESCCC(CC)C(=O)OCc1nc(C)no1
InChIInChI=1S/C10H16N2O3/c1-4-8(5-2)10(13)14-6-9-11-7(3)12-15-9/h8H,4-6H2,1-3H3
InChIKeyGRMUWHSRZAGSEA-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.86
Rot. Bonds5

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

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate (PubChem CID 60561980) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate
PubChem CID60561980
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate
SMILESCCC(CC)C(=O)OCc1nc(C)no1
InChIInChI=1S/C10H16N2O3/c1-4-8(5-2)10(13)14-6-9-11-7(3)12-15-9/h8H,4-6H2,1-3H3
InChIKeyGRMUWHSRZAGSEA-UHFFFAOYSA-N
XLogP1.86
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butanoic acid
CID 106442211
(2S)-2-amino-3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butanoic acid
CID 106443013
2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid
CID 43471079
(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 32751861
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 78841391
1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 58326632
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46527236
(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate
CID 31048252
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-hydroxy-4-methylbenzoate
CID 31047257
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106415376
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate (CID 60561980) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate is CCC(CC)C(=O)OCc1nc(C)no1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate?
The InChIKey is GRMUWHSRZAGSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-8(5-2)10(13)14-6-9-11-7(3)12-15-9/h8H,4-6H2,1-3H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate has a molecular weight of 212.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate is sourced from PubChem (CID 60561980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).