7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide

C14H21N3O3 — CID 114945058

IUPAC7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCc1cc(NC(=O)C2(N)C3CCCOC3C2(C)C)on1
InChIInChI=1S/C14H21N3O3/c1-8-7-10(20-17-8)16-12(18)14(15)9-5-4-6-19-11(9)13(14,2)3/h7,9,11H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyXXXWZYPSQOZKKH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.45
Rot. Bonds2

About 7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 114945058) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID114945058
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCc1cc(NC(=O)C2(N)C3CCCOC3C2(C)C)on1
InChIInChI=1S/C14H21N3O3/c1-8-7-10(20-17-8)16-12(18)14(15)9-5-4-6-19-11(9)13(14,2)3/h7,9,11H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyXXXWZYPSQOZKKH-UHFFFAOYSA-N
XLogP1.45
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide with MolForge

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Related Compounds

7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945201
7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946084
7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946068
6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946250
7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945769
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
7-amino-N-[(4-bromothiophen-2-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946144
7-amino-N-[(1S)-1-cyclopentylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 104985278
7-amino-N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946451
6-amino-N-(2-fluoro-4-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945241
7-amino-N-but-3-yn-2-yl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946989
7-amino-8,8-dimethyl-N-propylsulfonyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 103307455

Frequently Asked Questions

What is the IUPAC name of 7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 114945058) is 7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide is Cc1cc(NC(=O)C2(N)C3CCCOC3C2(C)C)on1.
What is the InChIKey of 7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is XXXWZYPSQOZKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-7-10(20-17-8)16-12(18)14(15)9-5-4-6-19-11(9)13(14,2)3/h7,9,11H,4-6,15H2,1-3H3,(H,16,18).
What are the key properties of 7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 114945058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).