2-tetradecan-7-yl-1,3,4-oxadiazole

C16H30N2O — CID 129156165

IUPAC2-tetradecan-7-yl-1,3,4-oxadiazole
SMILESCCCCCCCC(CCCCCC)c1nnco1
InChIInChI=1S/C16H30N2O/c1-3-5-7-9-11-13-15(12-10-8-6-4-2)16-18-17-14-19-16/h14-15H,3-13H2,1-2H3
InChIKeyUKENSMAWNCZZKB-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.48
Rot. Bonds12

About 2-tetradecan-7-yl-1,3,4-oxadiazole

2-tetradecan-7-yl-1,3,4-oxadiazole (PubChem CID 129156165) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-tetradecan-7-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tetradecan-7-yl-1,3,4-oxadiazole
PubChem CID129156165
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-tetradecan-7-yl-1,3,4-oxadiazole
SMILESCCCCCCCC(CCCCCC)c1nnco1
InChIInChI=1S/C16H30N2O/c1-3-5-7-9-11-13-15(12-10-8-6-4-2)16-18-17-14-19-16/h14-15H,3-13H2,1-2H3
InChIKeyUKENSMAWNCZZKB-UHFFFAOYSA-N
XLogP5.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-undecan-5-yl-1,3-oxazole
CID 134461094
2-pentyl-1,3,4-oxadiazole
CID 17244515
dodecan-2-yl(trimethyl)silane
CID 11425039
1-ethyl-3-tridecan-7-yl-1,2,4-triazole
CID 126500080
5-tridecan-7-yl-1,2-oxazole
CID 129119841
5-dodecan-6-yl-1,2-thiazole
CID 134557589
3-undecan-5-yl-1,2-thiazole
CID 146406954
3-tridecan-7-ylpyridine
CID 129119745
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
4-fluoro-5-tridecan-7-yl-2H-triazole
CID 130311206
4-dodecan-4-yl-3-ethylpyridazine
CID 71088998
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of 2-tetradecan-7-yl-1,3,4-oxadiazole?
The IUPAC name of 2-tetradecan-7-yl-1,3,4-oxadiazole (CID 129156165) is 2-tetradecan-7-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-tetradecan-7-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-tetradecan-7-yl-1,3,4-oxadiazole is CCCCCCCC(CCCCCC)c1nnco1.
What is the InChIKey of 2-tetradecan-7-yl-1,3,4-oxadiazole?
The InChIKey is UKENSMAWNCZZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-5-7-9-11-13-15(12-10-8-6-4-2)16-18-17-14-19-16/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-tetradecan-7-yl-1,3,4-oxadiazole?
2-tetradecan-7-yl-1,3,4-oxadiazole has a molecular weight of 266.43 g/mol, XLogP of 5.48, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecan-7-yl-1,3,4-oxadiazole is sourced from PubChem (CID 129156165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).