2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole

C14H24N2O2 — CID 57091159

IUPAC2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCCCCC(C)(C1=NCCO1)C1=NCCO1
InChIInChI=1S/C14H24N2O2/c1-3-4-5-6-7-14(2,12-15-8-10-17-12)13-16-9-11-18-13/h3-11H2,1-2H3
InChIKeyTYPWFEJRKAUVRF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.82
Rot. Bonds7

About 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole

2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 57091159) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID57091159
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCCCCC(C)(C1=NCCO1)C1=NCCO1
InChIInChI=1S/C14H24N2O2/c1-3-4-5-6-7-14(2,12-15-8-10-17-12)13-16-9-11-18-13/h3-11H2,1-2H3
InChIKeyTYPWFEJRKAUVRF-UHFFFAOYSA-N
XLogP2.82
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole (CID 57091159) is 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole is CCCCCCC(C)(C1=NCCO1)C1=NCCO1.
What is the InChIKey of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is TYPWFEJRKAUVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-4-5-6-7-14(2,12-15-8-10-17-12)13-16-9-11-18-13/h3-11H2,1-2H3.
What are the key properties of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole?
2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 252.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57091159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).