N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

C14H20N2O2 — CID 167416142

About N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 167416142) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

• Compound Name: N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
• PubChem CID: 167416142
• Molecular Formula: C14H20N2O2
• Molecular Weight: 248.33 g/mol
• Exact Mass: 248.15
• IUPAC Name: N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
• SMILES: C#CCN(C)C(=O)C12CCCC1C(C(C)C)=NO2
• InChI: InChI=1S/C14H20N2O2/c1-5-9-16(4)13(17)14-8-6-7-11(14)12(10(2)3)15-18-14/h1,10-11H,6-9H2,2-4H3
• InChIKey: ZADDBDWTRNPGEX-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 41.90 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.33
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?

The IUPAC name of N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 167416142) is N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

What is the SMILES notation for N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?

The canonical SMILES for N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is C#CCN(C)C(=O)C12CCCC1C(C(C)C)=NO2.

What is the InChIKey of N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?

The InChIKey is ZADDBDWTRNPGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-9-16(4)13(17)14-8-6-7-11(14)12(10(2)3)15-18-14/h1,10-11H,6-9H2,2-4H3.

What are the key properties of N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?

N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 167416142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).