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

C9H14N2O2 — CID 166662619

IUPACN,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCNC(=O)C12CCCC1C(C)=NO2
InChIInChI=1S/C9H14N2O2/c1-6-7-4-3-5-9(7,13-11-6)8(12)10-2/h7H,3-5H2,1-2H3,(H,10,12)
InChIKeyHAHKATIGBUYRBP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.68
Rot. Bonds1

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

N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 166662619) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID166662619
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCNC(=O)C12CCCC1C(C)=NO2
InChIInChI=1S/C9H14N2O2/c1-6-7-4-3-5-9(7,13-11-6)8(12)10-2/h7H,3-5H2,1-2H3,(H,10,12)
InChIKeyHAHKATIGBUYRBP-UHFFFAOYSA-N
XLogP0.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 166662619) is N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CNC(=O)C12CCCC1C(C)=NO2.
What is the InChIKey of N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is HAHKATIGBUYRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-7-4-3-5-9(7,13-11-6)8(12)10-2/h7H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 166662619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).