2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole

C33H64N2O2 — CID 22999547

IUPAC2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCCC1=NCCO1.CCCCCCCCCCCCCCC1=NCCO1
InChIInChI=1S/C17H33NO.C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18-15-16-19-17;1-2-3-4-5-6-7-8-9-10-11-12-13-16-17-14-15-18-16/h2-16H2,1H3;2-15H2,1H3
InChIKeyNWBVZRITMYETPM-UHFFFAOYSA-N
MW520.89 g/mol
LogP10.62
Rot. Bonds25

About 2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole

2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole (PubChem CID 22999547) has the molecular formula C33H64N2O2 and a molecular weight of 520.89 g/mol. Its IUPAC name is 2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole
PubChem CID22999547
Molecular FormulaC33H64N2O2
Molecular Weight520.89 g/mol
Exact Mass520.50
IUPAC Name2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCCC1=NCCO1.CCCCCCCCCCCCCCC1=NCCO1
InChIInChI=1S/C17H33NO.C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18-15-16-19-17;1-2-3-4-5-6-7-8-9-10-11-12-13-16-17-14-15-18-16/h2-16H2,1H3;2-15H2,1H3
InChIKeyNWBVZRITMYETPM-UHFFFAOYSA-N
XLogP10.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.89
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-nonadecyl-4,5-dihydro-1,3-oxazole
CID 22999535
2-tetradecyl-5,6-dihydro-4H-1,3-oxazine
CID 169221826
2-decyl-5,6-dihydro-4H-1,3-oxazine
CID 169221818
2-docosyl-5,6-dihydro-4H-1,3-oxazine
CID 169221785
2-tetracosa-9,11-diynyl-4,5-dihydro-1,3-oxazole
CID 102460926
2-[(9Z,13Z)-heptadeca-9,13-dienyl]-4,5-dihydro-1,3-oxazole
CID 101452817
2-cyclohexyl-4,5-dihydro-1,3-oxazole;2-octadec-9-enyl-4,5-dihydro-1,3-oxazole
CID 67259453
5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate
CID 102249128
3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane
CID 22104347
7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid
CID 68747075
2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519397
5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl 2-bromo-2-methylpropanoate
CID 158341290

Frequently Asked Questions

What is the IUPAC name of 2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole (CID 22999547) is 2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole is CCCCCCCCCCCCCC1=NCCO1.CCCCCCCCCCCCCCC1=NCCO1.
What is the InChIKey of 2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole?
The InChIKey is NWBVZRITMYETPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO.C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18-15-16-19-17;1-2-3-4-5-6-7-8-9-10-11-12-13-16-17-14-15-18-16/h2-16H2,1H3;2-15H2,1H3.
What are the key properties of 2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole?
2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole has a molecular weight of 520.89 g/mol, XLogP of 10.62, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22999547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).