1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

C18H28N4O4 — CID 55999755

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCC(OC(=O)CCCc1nc(C(C)(C)C)no1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H28N4O4/c1-11(14-20-16(22-26-14)18(5,6)7)24-13(23)10-8-9-12-19-15(21-25-12)17(2,3)4/h11H,8-10H2,1-7H3
InChIKeyNQAIJPJVRUQPIK-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.67
Rot. Bonds6

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate (PubChem CID 55999755) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
PubChem CID55999755
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCC(OC(=O)CCCc1nc(C(C)(C)C)no1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H28N4O4/c1-11(14-20-16(22-26-14)18(5,6)7)24-13(23)10-8-9-12-19-15(21-25-12)17(2,3)4/h11H,8-10H2,1-7H3
InChIKeyNQAIJPJVRUQPIK-UHFFFAOYSA-N
XLogP3.67
TPSA104.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate
CID 55544383
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate
CID 55553227
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate
CID 55553350
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-methoxyphenyl)acetate
CID 55545052
N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120507692
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 55553491
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate
CID 55545119
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 38486973
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate
CID 95347851
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999216
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55665755

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate (CID 55999755) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate is CC(OC(=O)CCCc1nc(C(C)(C)C)no1)c1nc(C(C)(C)C)no1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The InChIKey is NQAIJPJVRUQPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-11(14-20-16(22-26-14)18(5,6)7)24-13(23)10-8-9-12-19-15(21-25-12)17(2,3)4/h11H,8-10H2,1-7H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate has a molecular weight of 364.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate is sourced from PubChem (CID 55999755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).