3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one

C94H178N10O10 — CID 162215311

IUPAC3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one
SMILESCCCCCCCCCCCCCCC(C)(C)C1ON=NC1=O.CCCCCCCCCCCCCCC(C)C1ON=NC1=O.CCCCCCCCCCCCCCC(CC)(CC)c1noc(=O)[nH]1.CCCCCCCCCCCCCCC(CC)c1noc(=O)[nH]1.CCCCCCCCCCCCCCCC1ON=NC1=O
InChIInChI=1S/C21H40N2O2.2C19H36N2O2.C18H34N2O2.C17H32N2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21(5-2,6-3)19-22-20(24)25-23-19;1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,3)17-18(22)20-21-23-17;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(4-2)18-20-19(22)23-21-18;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17-18(21)19-20-22-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(20)18-19-21-16/h4-18H2,1-3H3,(H,22,23,24);17H,4-16H2,1-3H3;17H,3-16H2,1-2H3,(H,20,21,22);16-17H,3-15H2,1-2H3;16H,2-15H2,1H3
InChIKeyZTJOJLIVCPTYJL-UHFFFAOYSA-N
MW1608.52 g/mol
LogP30.62
Rot. Bonds73

About 3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one

3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one (PubChem CID 162215311) has the molecular formula C94H178N10O10 and a molecular weight of 1608.52 g/mol. Its IUPAC name is 3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one.

Molecular Properties

Compound Name3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one
PubChem CID162215311
Molecular FormulaC94H178N10O10
Molecular Weight1608.52 g/mol
Exact Mass1607.37
IUPAC Name3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one
SMILESCCCCCCCCCCCCCCC(C)(C)C1ON=NC1=O.CCCCCCCCCCCCCCC(C)C1ON=NC1=O.CCCCCCCCCCCCCCC(CC)(CC)c1noc(=O)[nH]1.CCCCCCCCCCCCCCC(CC)c1noc(=O)[nH]1.CCCCCCCCCCCCCCCC1ON=NC1=O
InChIInChI=1S/C21H40N2O2.2C19H36N2O2.C18H34N2O2.C17H32N2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21(5-2,6-3)19-22-20(24)25-23-19;1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,3)17-18(22)20-21-23-17;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(4-2)18-20-19(22)23-21-18;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17-18(21)19-20-22-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(20)18-19-21-16/h4-18H2,1-3H3,(H,22,23,24);17H,4-16H2,1-3H3;17H,3-16H2,1-2H3,(H,20,21,22);16-17H,3-15H2,1-2H3;16H,2-15H2,1H3
InChIKeyZTJOJLIVCPTYJL-UHFFFAOYSA-N
XLogP30.62
TPSA270.84 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds73
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001608.52
LogP ≤ 530.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one 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

3-pentadecan-8-yl-4H-1,2,4-oxadiazol-5-one
CID 137233049
5-(3-methylicosan-3-yl)oxadiazol-4-one
CID 138558685
3-hexadecan-2-yl-4H-1,2,4-oxadiazol-5-one
CID 138558356
4-(3-ethylheptadecan-3-yl)-3H-1,3-oxazol-2-one
CID 138558555
2-ethyl-N-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methyl]undecanamide
CID 167969637
3-ethyl-2-methyl-2-(5-methylhexyl)decanoic acid
CID 151889594
1-(2-methyloctan-2-yl)-2-undecylcyclopropane
CID 153337424
(2R,3S)-2-decyl-3-(4-methylpentyl)oxirane
CID 87998146
2-heptan-3-yl-4,5-dimethylidene-1H-pyrimidin-6-one
CID 143002522
1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one
CID 134225694
1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one
CID 155158511
3-ethyl-2-octan-3-ylfuran
CID 174501717

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one?
The IUPAC name of 3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one (CID 162215311) is 3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one.
What is the SMILES notation for 3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one?
The canonical SMILES for 3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one is CCCCCCCCCCCCCCC(C)(C)C1ON=NC1=O.CCCCCCCCCCCCCCC(C)C1ON=NC1=O.CCCCCCCCCCCCCCC(CC)(CC)c1noc(=O)[nH]1.CCCCCCCCCCCCCCC(CC)c1noc(=O)[nH]1.CCCCCCCCCCCCCCCC1ON=NC1=O.
What is the InChIKey of 3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one?
The InChIKey is ZTJOJLIVCPTYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O2.2C19H36N2O2.C18H34N2O2.C17H32N2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21(5-2,6-3)19-22-20(24)25-23-19;1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,3)17-18(22)20-21-23-17;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(4-2)18-20-19(22)23-21-18;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17-18(21)19-20-22-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(20)18-19-21-16/h4-18H2,1-3H3,(H,22,23,24);17H,4-16H2,1-3H3;17H,3-16H2,1-2H3,(H,20,21,22);16-17H,3-15H2,1-2H3;16H,2-15H2,1H3.
What are the key properties of 3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one?
3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one has a molecular weight of 1608.52 g/mol, XLogP of 30.62, 73 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylheptadecan-3-yl)-4H-1,2,4-oxadiazol-5-one;3-heptadecan-3-yl-4H-1,2,4-oxadiazol-5-one;5-hexadecan-2-yloxadiazol-4-one;5-(2-methylhexadecan-2-yl)oxadiazol-4-one;5-pentadecyloxadiazol-4-one is sourced from PubChem (CID 162215311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).