2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C19H23N5O4 — CID 126445618

IUPAC2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C1OCC2(CCN(C(=O)N[C@@H](CCn3cncn3)c3ccccc3)CC2)O1
InChIInChI=1S/C19H23N5O4/c25-17(23-10-7-19(8-11-23)12-27-18(26)28-19)22-16(15-4-2-1-3-5-15)6-9-24-14-20-13-21-24/h1-5,13-14,16H,6-12H2,(H,22,25)/t16-/m0/s1
InChIKeyXWPMUCOBXSYLOH-INIZCTEOSA-N
MW385.42 g/mol
LogP2.12
Rot. Bonds5

About 2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide

2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 126445618) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID126445618
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C1OCC2(CCN(C(=O)N[C@@H](CCn3cncn3)c3ccccc3)CC2)O1
InChIInChI=1S/C19H23N5O4/c25-17(23-10-7-19(8-11-23)12-27-18(26)28-19)22-16(15-4-2-1-3-5-15)6-9-24-14-20-13-21-24/h1-5,13-14,16H,6-12H2,(H,22,25)/t16-/m0/s1
InChIKeyXWPMUCOBXSYLOH-INIZCTEOSA-N
XLogP2.12
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 126445618) is 2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide is O=C1OCC2(CCN(C(=O)N[C@@H](CCn3cncn3)c3ccccc3)CC2)O1.
What is the InChIKey of 2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is XWPMUCOBXSYLOH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O4/c25-17(23-10-7-19(8-11-23)12-27-18(26)28-19)22-16(15-4-2-1-3-5-15)6-9-24-14-20-13-21-24/h1-5,13-14,16H,6-12H2,(H,22,25)/t16-/m0/s1.
What are the key properties of 2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 126445618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).