6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

C15H20N2O3 — CID 19245363

IUPAC6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESCc1cc(NC(=O)C23CC4CCC2(C)C4(C)CO3)no1
InChIInChI=1S/C15H20N2O3/c1-9-6-11(17-20-9)16-12(18)15-7-10-4-5-14(15,3)13(10,2)8-19-15/h6,10H,4-5,7-8H2,1-3H3,(H,16,17,18)
InChIKeyAKWXTANZMYLWCN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.52
Rot. Bonds2

About 6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (PubChem CID 19245363) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
PubChem CID19245363
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESCc1cc(NC(=O)C23CC4CCC2(C)C4(C)CO3)no1
InChIInChI=1S/C15H20N2O3/c1-9-6-11(17-20-9)16-12(18)15-7-10-4-5-14(15,3)13(10,2)8-19-15/h6,10H,4-5,7-8H2,1-3H3,(H,16,17,18)
InChIKeyAKWXTANZMYLWCN-UHFFFAOYSA-N
XLogP2.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The IUPAC name of 6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (CID 19245363) is 6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The canonical SMILES for 6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is Cc1cc(NC(=O)C23CC4CCC2(C)C4(C)CO3)no1.
What is the InChIKey of 6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The InChIKey is AKWXTANZMYLWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-6-11(17-20-9)16-12(18)15-7-10-4-5-14(15,3)13(10,2)8-19-15/h6,10H,4-5,7-8H2,1-3H3,(H,16,17,18).
What are the key properties of 6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is sourced from PubChem (CID 19245363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).