3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole

C20H37NO — CID 130325174

IUPAC3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole
SMILESCCCCCCCC(CCCCCCC)c1c(C)noc1C
InChIInChI=1S/C20H37NO/c1-5-7-9-11-13-15-19(16-14-12-10-8-6-2)20-17(3)21-22-18(20)4/h19H,5-16H2,1-4H3
InChIKeyDNCLZLJFOMRXOM-UHFFFAOYSA-N
MW307.52 g/mol
LogP7.10
Rot. Bonds13

About 3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole

3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole (PubChem CID 130325174) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole
PubChem CID130325174
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole
SMILESCCCCCCCC(CCCCCCC)c1c(C)noc1C
InChIInChI=1S/C20H37NO/c1-5-7-9-11-13-15-19(16-14-12-10-8-6-2)20-17(3)21-22-18(20)4/h19H,5-16H2,1-4H3
InChIKeyDNCLZLJFOMRXOM-UHFFFAOYSA-N
XLogP7.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-dodecan-5-yl-3,5-dimethyl-1,2-oxazole
CID 170386435
dodecan-2-yl(trimethyl)silane
CID 11425039
3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 137470392
3-pentadecan-8-yl-4H-1,2,4-oxadiazol-5-one
CID 137233049
5-tridecan-7-yl-1,2-oxazole
CID 129119841
2-methyl-3-tridecan-7-ylpyrazine
CID 129212900
2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoic acid
CID 47003039
2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol
CID 82406639
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pentan-3-amine
CID 115896745
6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol
CID 113428834
4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine
CID 166688598
2-undecan-5-ylbenzene-1,3-diol
CID 67418377

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole (CID 130325174) is 3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole is CCCCCCCC(CCCCCCC)c1c(C)noc1C.
What is the InChIKey of 3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole?
The InChIKey is DNCLZLJFOMRXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-5-7-9-11-13-15-19(16-14-12-10-8-6-2)20-17(3)21-22-18(20)4/h19H,5-16H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole?
3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole has a molecular weight of 307.52 g/mol, XLogP of 7.10, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-pentadecan-8-yl-1,2-oxazole is sourced from PubChem (CID 130325174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).