3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

C11H18N2O2 — CID 166662633

IUPAC3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCCCNC(=O)C12CCCC1C(C)=NO2
InChIInChI=1S/C11H18N2O2/c1-3-7-12-10(14)11-6-4-5-9(11)8(2)13-15-11/h9H,3-7H2,1-2H3,(H,12,14)
InChIKeyYLOZIIRJKWIGPP-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.46
Rot. Bonds3

About 3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 166662633) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID166662633
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCCCNC(=O)C12CCCC1C(C)=NO2
InChIInChI=1S/C11H18N2O2/c1-3-7-12-10(14)11-6-4-5-9(11)8(2)13-15-11/h9H,3-7H2,1-2H3,(H,12,14)
InChIKeyYLOZIIRJKWIGPP-UHFFFAOYSA-N
XLogP1.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of 3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 166662633) is 3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for 3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for 3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CCCNC(=O)C12CCCC1C(C)=NO2.
What is the InChIKey of 3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is YLOZIIRJKWIGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-7-12-10(14)11-6-4-5-9(11)8(2)13-15-11/h9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 166662633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).