3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole

C20H37NO — CID 137470392

IUPAC3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
SMILESCCCCCCCC(C)(CCCCCC)c1c(C)noc1C
InChIInChI=1S/C20H37NO/c1-6-8-10-12-14-16-20(5,15-13-11-9-7-2)19-17(3)21-22-18(19)4/h6-16H2,1-5H3
InChIKeyGPVSRASZQLJPIB-UHFFFAOYSA-N
MW307.52 g/mol
LogP6.88
Rot. Bonds12

About 3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole

3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole (PubChem CID 137470392) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
PubChem CID137470392
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
SMILESCCCCCCCC(C)(CCCCCC)c1c(C)noc1C
InChIInChI=1S/C20H37NO/c1-6-8-10-12-14-16-20(5,15-13-11-9-7-2)19-17(3)21-22-18(19)4/h6-16H2,1-5H3
InChIKeyGPVSRASZQLJPIB-UHFFFAOYSA-N
XLogP6.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 56.88
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-(3-methylpentan-3-yl)-1,2-oxazole
CID 129201550
5-fluoro-1,3-dimethyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146376882
5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 166775284
3-iodo-1,5-dimethyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146378442
3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole
CID 130325174
2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378264
5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
CID 139524801
3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole
CID 146431143
5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 175618648
5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine
CID 139524806
1-bromo-3-methyl-2-(5-methylundecan-5-yl)benzene
CID 146636965
3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378435

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole (CID 137470392) is 3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole is CCCCCCCC(C)(CCCCCC)c1c(C)noc1C.
What is the InChIKey of 3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole?
The InChIKey is GPVSRASZQLJPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-6-8-10-12-14-16-20(5,15-13-11-9-7-2)19-17(3)21-22-18(19)4/h6-16H2,1-5H3.
What are the key properties of 3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole?
3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole has a molecular weight of 307.52 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole is sourced from PubChem (CID 137470392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).