4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole

C17H31NO — CID 170386435

IUPAC4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole
SMILESCCCCCCCC(CCCC)c1c(C)noc1C
InChIInChI=1S/C17H31NO/c1-5-7-9-10-11-13-16(12-8-6-2)17-14(3)18-19-15(17)4/h16H,5-13H2,1-4H3
InChIKeyCXGKYUNKOWLJBS-UHFFFAOYSA-N
MW265.44 g/mol
LogP5.93
Rot. Bonds10

About 4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole

4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole (PubChem CID 170386435) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole
PubChem CID170386435
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole
SMILESCCCCCCCC(CCCC)c1c(C)noc1C
InChIInChI=1S/C17H31NO/c1-5-7-9-10-11-13-16(12-8-6-2)17-14(3)18-19-15(17)4/h16H,5-13H2,1-4H3
InChIKeyCXGKYUNKOWLJBS-UHFFFAOYSA-N
XLogP5.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.44
LogP ≤ 55.93
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

3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole
CID 130325174
dodecan-2-yl(trimethyl)silane
CID 11425039
3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 137470392
2-undecan-5-ylbenzene-1,3-diol
CID 67418377
3-pentadecan-8-yl-4H-1,2,4-oxadiazol-5-one
CID 137233049
5-tridecan-7-yl-1,2-oxazole
CID 129119841
2-methyl-3-tridecan-7-ylpyrazine
CID 129212900
3-undecan-5-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 155306010
4-ethyl-3-undecan-5-yl-1,2-oxazole
CID 155322421
2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoic acid
CID 47003039
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pentan-3-amine
CID 115896745
2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol
CID 82406639

Frequently Asked Questions

What is the IUPAC name of 4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole (CID 170386435) is 4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole is CCCCCCCC(CCCC)c1c(C)noc1C.
What is the InChIKey of 4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole?
The InChIKey is CXGKYUNKOWLJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-7-9-10-11-13-16(12-8-6-2)17-14(3)18-19-15(17)4/h16H,5-13H2,1-4H3.
What are the key properties of 4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole?
4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole has a molecular weight of 265.44 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 170386435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).