7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide

C14H22N4O3 — CID 106397626

IUPAC7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCC1(C)C2OCCCC2C1(N)C(=O)NCCc1ncon1
InChIInChI=1S/C14H22N4O3/c1-13(2)11-9(4-3-7-20-11)14(13,15)12(19)16-6-5-10-17-8-21-18-10/h8-9,11H,3-7,15H2,1-2H3,(H,16,19)
InChIKeyHYRDDAGCZQJXOV-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.26
Rot. Bonds4

About 7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 106397626) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID106397626
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCC1(C)C2OCCCC2C1(N)C(=O)NCCc1ncon1
InChIInChI=1S/C14H22N4O3/c1-13(2)11-9(4-3-7-20-11)14(13,15)12(19)16-6-5-10-17-8-21-18-10/h8-9,11H,3-7,15H2,1-2H3,(H,16,19)
InChIKeyHYRDDAGCZQJXOV-UHFFFAOYSA-N
XLogP0.26
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide with MolForge

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Related Compounds

N-(2-acetamidoethyl)-7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945398
7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945819
7-amino-N-(2-cyclopentylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945528
7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 102611573
7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945769
6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946091
7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945201
7-amino-N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946451
7-amino-8,8-dimethyl-N-[2-(methylamino)-2-oxoethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945312
7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946084
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
7-amino-8,8-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 106427671

Frequently Asked Questions

What is the IUPAC name of 7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 106397626) is 7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide is CC1(C)C2OCCCC2C1(N)C(=O)NCCc1ncon1.
What is the InChIKey of 7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is HYRDDAGCZQJXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-13(2)11-9(4-3-7-20-11)14(13,15)12(19)16-6-5-10-17-8-21-18-10/h8-9,11H,3-7,15H2,1-2H3,(H,16,19).
What are the key properties of 7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 106397626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).