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

C10H16N2O3 — CID 166662709

IUPACN-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCON(C)C(=O)C12CCCC1C(C)=NO2
InChIInChI=1S/C10H16N2O3/c1-7-8-5-4-6-10(8,15-11-7)9(13)12(2)14-3/h8H,4-6H2,1-3H3
InChIKeySQNOPKFCKCTAEU-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.95
Rot. Bonds2

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

N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 166662709) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID166662709
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCON(C)C(=O)C12CCCC1C(C)=NO2
InChIInChI=1S/C10H16N2O3/c1-7-8-5-4-6-10(8,15-11-7)9(13)12(2)14-3/h8H,4-6H2,1-3H3
InChIKeySQNOPKFCKCTAEU-UHFFFAOYSA-N
XLogP0.95
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 166662709) is N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CON(C)C(=O)C12CCCC1C(C)=NO2.
What is the InChIKey of N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is SQNOPKFCKCTAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-8-5-4-6-10(8,15-11-7)9(13)12(2)14-3/h8H,4-6H2,1-3H3.
What are the key properties of N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 166662709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).