5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole

C19H35NO — CID 166775284

IUPAC5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
SMILESCCCCCCCC(C)(CCCCCC)c1cc(C)on1
InChIInChI=1S/C19H35NO/c1-5-7-9-11-13-15-19(4,14-12-10-8-6-2)18-16-17(3)21-20-18/h16H,5-15H2,1-4H3
InChIKeyDIRWVVJBMPTNLE-UHFFFAOYSA-N
MW293.49 g/mol
LogP6.57
Rot. Bonds12

About 5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole

5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole (PubChem CID 166775284) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is 5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
PubChem CID166775284
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC Name5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
SMILESCCCCCCCC(C)(CCCCCC)c1cc(C)on1
InChIInChI=1S/C19H35NO/c1-5-7-9-11-13-15-19(4,14-12-10-8-6-2)18-16-17(3)21-20-18/h16H,5-15H2,1-4H3
InChIKeyDIRWVVJBMPTNLE-UHFFFAOYSA-N
XLogP6.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.49
LogP ≤ 56.57
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

5-heptyl-3-methyl-1,2-oxazole
CID 57223532
3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 137470392
3-butyl-5-methyl-1,2-oxazole
CID 19872036
5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
CID 139524801
4-(7-methyltridecan-7-yl)pyrimidine
CID 126624853
2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146378115
N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine
CID 60691345
2-fluoro-6-(5-methyldodecan-5-yl)pyridine
CID 138690442
1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole
CID 146376804
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
3-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377948
5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378474

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole (CID 166775284) is 5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole is CCCCCCCC(C)(CCCCCC)c1cc(C)on1.
What is the InChIKey of 5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole?
The InChIKey is DIRWVVJBMPTNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-5-7-9-11-13-15-19(4,14-12-10-8-6-2)18-16-17(3)21-20-18/h16H,5-15H2,1-4H3.
What are the key properties of 5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole?
5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole has a molecular weight of 293.49 g/mol, XLogP of 6.57, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole is sourced from PubChem (CID 166775284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).