formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide

C20H27N5O7 — CID 171322656

About formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide

formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 171322656) has the molecular formula C20H27N5O7 and a molecular weight of 449.46 g/mol. Its IUPAC name is formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide
• PubChem CID: 171322656
• Molecular Formula: C20H27N5O7
• Molecular Weight: 449.46 g/mol
• Exact Mass: 449.19
• IUPAC Name: formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide
• SMILES: Cc1ncc(C(=O)N[C@@]2(C)CCOC3(CCN(C(=O)c4cnco4)CC3)[C@@H]2O)[nH]1.O=CO
• InChI: InChI=1S/C19H25N5O5.CH2O2/c1-12-21-9-13(22-12)15(25)23-18(2)5-8-29-19(17(18)27)3-6-24(7-4-19)16(26)14-10-20-11-28-14;2-1-3/h9-11,17,27H,3-8H2,1-2H3,(H,21,22)(H,23,25);1H,(H,2,3)/t17-,18+;/m1./s1
• InChIKey: FGEBROHGYWLEBJ-URBRKQAFSA-N
• XLogP: 0.35
• TPSA: 170.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.46
LogP ≤ 5	0.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide?

The IUPAC name of formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide (CID 171322656) is formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide.

What is the SMILES notation for formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide?

The canonical SMILES for formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)N[C@@]2(C)CCOC3(CCN(C(=O)c4cnco4)CC3)[C@@H]2O)[nH]1.O=CO.

What is the InChIKey of formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide?

The InChIKey is FGEBROHGYWLEBJ-URBRKQAFSA-N. The full InChI is InChI=1S/C19H25N5O5.CH2O2/c1-12-21-9-13(22-12)15(25)23-18(2)5-8-29-19(17(18)27)3-6-24(7-4-19)16(26)14-10-20-11-28-14;2-1-3/h9-11,17,27H,3-8H2,1-2H3,(H,21,22)(H,23,25);1H,(H,2,3)/t17-,18+;/m1./s1.

What are the key properties of formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide?

formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 0.35, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;N-[(4S,5R)-5-hydroxy-4-methyl-9-(1,3-oxazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 171322656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).