2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole

C14H27NO — CID 19825939

IUPAC2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCC(C)(C)C1=NCCO1
InChIInChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-14(2,3)13-15-11-12-16-13/h4-12H2,1-3H3
InChIKeyAOEWLLWXGHRGBH-UHFFFAOYSA-N
MW225.38 g/mol
LogP4.19
Rot. Bonds8

About 2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole

2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 19825939) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID19825939
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCC(C)(C)C1=NCCO1
InChIInChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-14(2,3)13-15-11-12-16-13/h4-12H2,1-3H3
InChIKeyAOEWLLWXGHRGBH-UHFFFAOYSA-N
XLogP4.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole (CID 19825939) is 2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole is CCCCCCCCC(C)(C)C1=NCCO1.
What is the InChIKey of 2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is AOEWLLWXGHRGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-14(2,3)13-15-11-12-16-13/h4-12H2,1-3H3.
What are the key properties of 2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole?
2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 225.38 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19825939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).