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

C12H20N2O3 — CID 143600158

IUPACmethyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate
SMILESCOC(=O)C(C)(C)CC(C)(C)c1nc(C)no1
InChIInChI=1S/C12H20N2O3/c1-8-13-9(17-14-8)11(2,3)7-12(4,5)10(15)16-6/h7H2,1-6H3
InChIKeyFCENUHLYVYXAOZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.24
Rot. Bonds4

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

methyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate (PubChem CID 143600158) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate
PubChem CID143600158
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate
SMILESCOC(=O)C(C)(C)CC(C)(C)c1nc(C)no1
InChIInChI=1S/C12H20N2O3/c1-8-13-9(17-14-8)11(2,3)7-12(4,5)10(15)16-6/h7H2,1-6H3
InChIKeyFCENUHLYVYXAOZ-UHFFFAOYSA-N
XLogP2.24
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 130520344
iodomethane;3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 160916070
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62819214
methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate
CID 106659578
methyl 4-(2,4-dihydroxy-3-methylphenyl)-2,2,4-trimethylpentanoate
CID 143041887
dimethyl 2,2,4-trimethyl-4-sulfanylpentanedioate
CID 171590206
methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate
CID 43431502
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 126812704
methyl 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)diazenyl]-2,2-dimethylpropanoate
CID 141343255
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
1-[(4-methoxyphenyl)methyl]-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]triazole-4-carboxamide
CID 136549710
trimethyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
CID 59972134

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate?
The IUPAC name of methyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate (CID 143600158) is methyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate.
What is the SMILES notation for methyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate?
The canonical SMILES for methyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate is COC(=O)C(C)(C)CC(C)(C)c1nc(C)no1.
What is the InChIKey of methyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate?
The InChIKey is FCENUHLYVYXAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-13-9(17-14-8)11(2,3)7-12(4,5)10(15)16-6/h7H2,1-6H3.
What are the key properties of methyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate?
methyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate has a molecular weight of 240.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate is sourced from PubChem (CID 143600158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).