5-tridecan-7-yl-1,2-oxazole

C16H29NO — CID 129119841

IUPAC5-tridecan-7-yl-1,2-oxazole
SMILESCCCCCCC(CCCCCC)c1ccno1
InChIInChI=1S/C16H29NO/c1-3-5-7-9-11-15(12-10-8-6-4-2)16-13-14-17-18-16/h13-15H,3-12H2,1-2H3
InChIKeyQRRYNIAGUGTBMS-UHFFFAOYSA-N
MW251.41 g/mol
LogP5.70
Rot. Bonds11

About 5-tridecan-7-yl-1,2-oxazole

5-tridecan-7-yl-1,2-oxazole (PubChem CID 129119841) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 5-tridecan-7-yl-1,2-oxazole.

Molecular Properties

Compound Name5-tridecan-7-yl-1,2-oxazole
PubChem CID129119841
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name5-tridecan-7-yl-1,2-oxazole
SMILESCCCCCCC(CCCCCC)c1ccno1
InChIInChI=1S/C16H29NO/c1-3-5-7-9-11-15(12-10-8-6-4-2)16-13-14-17-18-16/h13-15H,3-12H2,1-2H3
InChIKeyQRRYNIAGUGTBMS-UHFFFAOYSA-N
XLogP5.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.41
LogP ≤ 55.70
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

methyl (2S)-2-(1,2-oxazol-5-yl)octanoate
CID 7081601
5-(2-butyloctyl)-1,2-oxazole
CID 134561279
5-tridecan-7-yl-1H-pyrazole
CID 126625738
dodecan-2-yl(trimethyl)silane
CID 11425039
5-dodecan-6-yl-1,2-thiazole
CID 134557589
2-tridecan-6-ylpyridine
CID 139295924
3-dodecan-5-yl-4-fluoropyridine
CID 130271983
2-undecan-5-yl-1,3-oxazole
CID 134461094
3-tridecan-7-ylpyridine
CID 129119745
3-dodecan-6-yl-4-methylpyridine
CID 129130745
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357

Frequently Asked Questions

What is the IUPAC name of 5-tridecan-7-yl-1,2-oxazole?
The IUPAC name of 5-tridecan-7-yl-1,2-oxazole (CID 129119841) is 5-tridecan-7-yl-1,2-oxazole.
What is the SMILES notation for 5-tridecan-7-yl-1,2-oxazole?
The canonical SMILES for 5-tridecan-7-yl-1,2-oxazole is CCCCCCC(CCCCCC)c1ccno1.
What is the InChIKey of 5-tridecan-7-yl-1,2-oxazole?
The InChIKey is QRRYNIAGUGTBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-5-7-9-11-15(12-10-8-6-4-2)16-13-14-17-18-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 5-tridecan-7-yl-1,2-oxazole?
5-tridecan-7-yl-1,2-oxazole has a molecular weight of 251.41 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tridecan-7-yl-1,2-oxazole is sourced from PubChem (CID 129119841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).