N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide

C16H26N4O4 — CID 22101608

IUPACN-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESO=C(NCCCCCCCCNC(=O)C1=NCCO1)C1=NCCO1
InChIInChI=1S/C16H26N4O4/c21-13(15-19-9-11-23-15)17-7-5-3-1-2-4-6-8-18-14(22)16-20-10-12-24-16/h1-12H2,(H,17,21)(H,18,22)
InChIKeyLMUIFJGXLFFBHF-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.42
Rot. Bonds11

About N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide

N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 22101608) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID22101608
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESO=C(NCCCCCCCCNC(=O)C1=NCCO1)C1=NCCO1
InChIInChI=1S/C16H26N4O4/c21-13(15-19-9-11-23-15)17-7-5-3-1-2-4-6-8-18-14(22)16-20-10-12-24-16/h1-12H2,(H,17,21)(H,18,22)
InChIKeyLMUIFJGXLFFBHF-UHFFFAOYSA-N
XLogP0.42
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-decyl-3-oxapentane-1,5-diamide
CID 87580811
N'-tetradecyl-3-oxapentanediamide
CID 88314350
n-Octyl diglycolamide
CID 129831471
2,2'-Oxybis(n-dodecylacetamide)
CID 129831600
n-Heptyl-2-[(4-(2-[(heptyl-methyl-carbamoyl)-methoxy]-acetylamino)-butylcarbamoyl)-methoxy]-N-methyl-acetamide
CID 546525
N,Na(2)-1,6-Hexanediylbis[4,5-dihydro-2-oxazolecarboxamide]
CID 18347274
N-hexyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523773
N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523784
N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523797
N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523802
N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101591
N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101593

Frequently Asked Questions

What is the IUPAC name of N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 22101608) is N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is O=C(NCCCCCCCCNC(=O)C1=NCCO1)C1=NCCO1.
What is the InChIKey of N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is LMUIFJGXLFFBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c21-13(15-19-9-11-23-15)17-7-5-3-1-2-4-6-8-18-14(22)16-20-10-12-24-16/h1-12H2,(H,17,21)(H,18,22).
What are the key properties of N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.42, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22101608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).