N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium)

C19H26N6O6Y2-2 — CID 165006664

IUPACN-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium)
SMILESC[C-](C1=NCCO1)C1=NCCO1.C[C-](CNC(=O)C1=NCCO1)NC(=O)C1=NCCO1.[Y].[Y]
InChIInChI=1S/C11H15N4O4.C8H11N2O2.2Y/c1-7(15-9(17)11-13-3-5-19-11)6-14-8(16)10-12-2-4-18-10;1-6(7-9-2-4-11-7)8-10-3-5-12-8;;/h2-6H2,1H3,(H,14,16)(H,15,17);2-5H2,1H3;;/q2*-1;;
InChIKeyLLYPCVJWGMVWLO-UHFFFAOYSA-N
MW612.26 g/mol
LogP-0.94
Rot. Bonds7

About N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium)

N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium) (PubChem CID 165006664) has the molecular formula C19H26N6O6Y2-2 and a molecular weight of 612.26 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium).

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium)
PubChem CID165006664
Molecular FormulaC19H26N6O6Y2-2
Molecular Weight612.26 g/mol
Exact Mass612.00
IUPAC NameN-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium)
SMILESC[C-](C1=NCCO1)C1=NCCO1.C[C-](CNC(=O)C1=NCCO1)NC(=O)C1=NCCO1.[Y].[Y]
InChIInChI=1S/C11H15N4O4.C8H11N2O2.2Y/c1-7(15-9(17)11-13-3-5-19-11)6-14-8(16)10-12-2-4-18-10;1-6(7-9-2-4-11-7)8-10-3-5-12-8;;/h2-6H2,1H3,(H,14,16)(H,15,17);2-5H2,1H3;;/q2*-1;;
InChIKeyLLYPCVJWGMVWLO-UHFFFAOYSA-N
XLogP-0.94
TPSA144.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium)?
The IUPAC name of N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium) (CID 165006664) is N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium).
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium)?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium) is C[C-](C1=NCCO1)C1=NCCO1.C[C-](CNC(=O)C1=NCCO1)NC(=O)C1=NCCO1.[Y].[Y].
What is the InChIKey of N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium)?
The InChIKey is LLYPCVJWGMVWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N4O4.C8H11N2O2.2Y/c1-7(15-9(17)11-13-3-5-19-11)6-14-8(16)10-12-2-4-18-10;1-6(7-9-2-4-11-7)8-10-3-5-12-8;;/h2-6H2,1H3,(H,14,16)(H,15,17);2-5H2,1H3;;/q2*-1;;.
What are the key properties of N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium)?
N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium) has a molecular weight of 612.26 g/mol, XLogP of -0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium) is sourced from PubChem (CID 165006664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).