N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide

C19H25N3O4 — CID 124795577

About N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide

N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide (PubChem CID 124795577) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide
• PubChem CID: 124795577
• Molecular Formula: C19H25N3O4
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.18
• IUPAC Name: N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide
• SMILES: Cc1cc(CN2CC[C@@]3(CCC[C@@H](CNC(=O)c4ccco4)O3)C2)no1
• InChI: InChI=1S/C19H25N3O4/c1-14-10-15(21-26-14)12-22-8-7-19(13-22)6-2-4-16(25-19)11-20-18(23)17-5-3-9-24-17/h3,5,9-10,16H,2,4,6-8,11-13H2,1H3,(H,20,23)/t16-,19-/m0/s1
• InChIKey: CHRNCOFTAMHRHW-LPHOPBHVSA-N
• XLogP: 2.52
• TPSA: 80.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide?

The IUPAC name of N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide (CID 124795577) is N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide?

The canonical SMILES for N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide is Cc1cc(CN2CC[C@@]3(CCC[C@@H](CNC(=O)c4ccco4)O3)C2)no1.

What is the InChIKey of N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide?

The InChIKey is CHRNCOFTAMHRHW-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-14-10-15(21-26-14)12-22-8-7-19(13-22)6-2-4-16(25-19)11-20-18(23)17-5-3-9-24-17/h3,5,9-10,16H,2,4,6-8,11-13H2,1H3,(H,20,23)/t16-,19-/m0/s1.

What are the key properties of N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide?

N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 124795577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).