formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

C16H25N3O5 — CID 155972786

About formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 155972786) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
• PubChem CID: 155972786
• Molecular Formula: C16H25N3O5
• Molecular Weight: 339.39 g/mol
• Exact Mass: 339.18
• IUPAC Name: formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
• SMILES: CC(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)N(C)C3)no1.O=CO
• InChI: InChI=1S/C15H23N3O3.CH2O2/c1-10(2)14-4-13(16-21-14)15(19)18-6-11-5-17(3)12(7-18)9-20-8-11;2-1-3/h4,10-12H,5-9H2,1-3H3;1H,(H,2,3)/t11-,12+;/m1./s1
• InChIKey: RODXNDXBPKNSQD-LYCTWNKOSA-N
• XLogP: 0.90
• TPSA: 96.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.39
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?

The IUPAC name of formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 155972786) is formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

What is the SMILES notation for formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?

The canonical SMILES for formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is CC(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)N(C)C3)no1.O=CO.

What is the InChIKey of formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?

The InChIKey is RODXNDXBPKNSQD-LYCTWNKOSA-N. The full InChI is InChI=1S/C15H23N3O3.CH2O2/c1-10(2)14-4-13(16-21-14)15(19)18-6-11-5-17(3)12(7-18)9-20-8-11;2-1-3/h4,10-12H,5-9H2,1-3H3;1H,(H,2,3)/t11-,12+;/m1./s1.

What are the key properties of formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?

formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 339.39 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 155972786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).