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

C13H22N2O2 — CID 57033403

IUPAC2-[2-(4,5-dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCCCC(C)(C1=NCCO1)C1=NCCO1
InChIInChI=1S/C13H22N2O2/c1-3-4-5-6-13(2,11-14-7-9-16-11)12-15-8-10-17-12/h3-10H2,1-2H3
InChIKeyPOLIDFBOSBCGQN-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.43
Rot. Bonds6

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

2-[2-(4,5-dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 57033403) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID57033403
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-(4,5-dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCCCC(C)(C1=NCCO1)C1=NCCO1
InChIInChI=1S/C13H22N2O2/c1-3-4-5-6-13(2,11-14-7-9-16-11)12-15-8-10-17-12/h3-10H2,1-2H3
InChIKeyPOLIDFBOSBCGQN-UHFFFAOYSA-N
XLogP2.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.43
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)heptan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole (CID 57033403) is 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole is CCCCCC(C)(C1=NCCO1)C1=NCCO1.
What is the InChIKey of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is POLIDFBOSBCGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-4-5-6-13(2,11-14-7-9-16-11)12-15-8-10-17-12/h3-10H2,1-2H3.
What are the key properties of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole?
2-[2-(4,5-dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 238.33 g/mol, XLogP of 2.43, 6 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)heptan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57033403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).