N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C17H19N3O2 — CID 99795802

About N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 99795802) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 99795802
• Molecular Formula: C17H19N3O2
• Molecular Weight: 297.36 g/mol
• Exact Mass: 297.15
• IUPAC Name: N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)c2c(C)noc2n1
• InChI: InChI=1S/C17H19N3O2/c1-9-5-14(15-10(2)20-22-17(15)19-9)16(21)18-8-13-7-11-3-4-12(13)6-11/h3-5,11-13H,6-8H2,1-2H3,(H,18,21)/t11-,12+,13+/m0/s1
• InChIKey: WMCWMNJRQMPTPZ-YNEHKIRRSA-N
• XLogP: 2.78
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.36
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 99795802) is N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)c2c(C)noc2n1.

What is the InChIKey of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is WMCWMNJRQMPTPZ-YNEHKIRRSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-9-5-14(15-10(2)20-22-17(15)19-9)16(21)18-8-13-7-11-3-4-12(13)6-11/h3-5,11-13H,6-8H2,1-2H3,(H,18,21)/t11-,12+,13+/m0/s1.

What are the key properties of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 99795802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).