2-nonadecyl-4,5-dihydro-1,3-oxazole

C22H43NO — CID 22999535

IUPAC2-nonadecyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCCCCCCCCC1=NCCO1
InChIInChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20-21-24-22/h2-21H2,1H3
InChIKeyNZRAZDNOFLBJCI-UHFFFAOYSA-N
MW337.59 g/mol
LogP7.46
Rot. Bonds18

About 2-nonadecyl-4,5-dihydro-1,3-oxazole

2-nonadecyl-4,5-dihydro-1,3-oxazole (PubChem CID 22999535) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is 2-nonadecyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-nonadecyl-4,5-dihydro-1,3-oxazole
PubChem CID22999535
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name2-nonadecyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCCCCCCCCC1=NCCO1
InChIInChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20-21-24-22/h2-21H2,1H3
InChIKeyNZRAZDNOFLBJCI-UHFFFAOYSA-N
XLogP7.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole
CID 22999547
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-nonadecyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-nonadecyl-4,5-dihydro-1,3-oxazole (CID 22999535) is 2-nonadecyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-nonadecyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-nonadecyl-4,5-dihydro-1,3-oxazole is CCCCCCCCCCCCCCCCCCCC1=NCCO1.
What is the InChIKey of 2-nonadecyl-4,5-dihydro-1,3-oxazole?
The InChIKey is NZRAZDNOFLBJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20-21-24-22/h2-21H2,1H3.
What are the key properties of 2-nonadecyl-4,5-dihydro-1,3-oxazole?
2-nonadecyl-4,5-dihydro-1,3-oxazole has a molecular weight of 337.59 g/mol, XLogP of 7.46, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonadecyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22999535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).