4-ethyl-3-undecan-5-yl-1,2-oxazole

C16H29NO — CID 155322421

IUPAC4-ethyl-3-undecan-5-yl-1,2-oxazole
SMILESCCCCCCC(CCCC)c1nocc1CC
InChIInChI=1S/C16H29NO/c1-4-7-9-10-12-15(11-8-5-2)16-14(6-3)13-18-17-16/h13,15H,4-12H2,1-3H3
InChIKeyYIFYGSGTTGYKKE-UHFFFAOYSA-N
MW251.41 g/mol
LogP5.48
Rot. Bonds10

About 4-ethyl-3-undecan-5-yl-1,2-oxazole

4-ethyl-3-undecan-5-yl-1,2-oxazole (PubChem CID 155322421) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 4-ethyl-3-undecan-5-yl-1,2-oxazole.

Molecular Properties

Compound Name4-ethyl-3-undecan-5-yl-1,2-oxazole
PubChem CID155322421
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name4-ethyl-3-undecan-5-yl-1,2-oxazole
SMILESCCCCCCC(CCCC)c1nocc1CC
InChIInChI=1S/C16H29NO/c1-4-7-9-10-12-15(11-8-5-2)16-14(6-3)13-18-17-16/h13,15H,4-12H2,1-3H3
InChIKeyYIFYGSGTTGYKKE-UHFFFAOYSA-N
XLogP5.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.41
LogP ≤ 55.48
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-tridecan-7-yl-1,2-oxazol-4-amine
CID 155010814
3-nonan-2-yl-1,2-oxazol-4-amine
CID 175901419
2-methyl-3-tridecan-7-ylpyrazine
CID 129212900
dodecan-2-yl(trimethyl)silane
CID 11425039
4-decyl-1,2-oxazole-3-carboxylic acid
CID 151748779
2-undecan-5-yl-1,3-oxazole
CID 134461094
4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole
CID 170386435
4-fluoro-5-tridecan-7-yl-2H-triazole
CID 130311206
3-pentadecan-8-yl-4H-1,2,4-oxadiazol-5-one
CID 137233049
3-ethyl-2-octan-3-ylfuran
CID 174501717
5-tridecan-7-yl-1,2-oxazole
CID 129119841
4-butyl-3-methyl-1,2-oxazole
CID 11819147

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-undecan-5-yl-1,2-oxazole?
The IUPAC name of 4-ethyl-3-undecan-5-yl-1,2-oxazole (CID 155322421) is 4-ethyl-3-undecan-5-yl-1,2-oxazole.
What is the SMILES notation for 4-ethyl-3-undecan-5-yl-1,2-oxazole?
The canonical SMILES for 4-ethyl-3-undecan-5-yl-1,2-oxazole is CCCCCCC(CCCC)c1nocc1CC.
What is the InChIKey of 4-ethyl-3-undecan-5-yl-1,2-oxazole?
The InChIKey is YIFYGSGTTGYKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-7-9-10-12-15(11-8-5-2)16-14(6-3)13-18-17-16/h13,15H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-3-undecan-5-yl-1,2-oxazole?
4-ethyl-3-undecan-5-yl-1,2-oxazole has a molecular weight of 251.41 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-undecan-5-yl-1,2-oxazole is sourced from PubChem (CID 155322421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).