5-(oxan-4-yl)-1H-imidazole

C8H12N2O — CID 129451563

IUPAC5-(oxan-4-yl)-1H-imidazole
SMILESc1ncc(C2CCOCC2)[nH]1
InChIInChI=1S/C8H12N2O/c1-3-11-4-2-7(1)8-5-9-6-10-8/h5-7H,1-4H2,(H,9,10)
InChIKeyMOCAEYNADNWZGS-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.30
Rot. Bonds1

About 5-(oxan-4-yl)-1H-imidazole

5-(oxan-4-yl)-1H-imidazole (PubChem CID 129451563) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-(oxan-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(oxan-4-yl)-1H-imidazole
PubChem CID129451563
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-(oxan-4-yl)-1H-imidazole
SMILESc1ncc(C2CCOCC2)[nH]1
InChIInChI=1S/C8H12N2O/c1-3-11-4-2-7(1)8-5-9-6-10-8/h5-7H,1-4H2,(H,9,10)
InChIKeyMOCAEYNADNWZGS-UHFFFAOYSA-N
XLogP1.30
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-1H-imidazole?
The IUPAC name of 5-(oxan-4-yl)-1H-imidazole (CID 129451563) is 5-(oxan-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(oxan-4-yl)-1H-imidazole?
The canonical SMILES for 5-(oxan-4-yl)-1H-imidazole is c1ncc(C2CCOCC2)[nH]1.
What is the InChIKey of 5-(oxan-4-yl)-1H-imidazole?
The InChIKey is MOCAEYNADNWZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-11-4-2-7(1)8-5-9-6-10-8/h5-7H,1-4H2,(H,9,10).
What are the key properties of 5-(oxan-4-yl)-1H-imidazole?
5-(oxan-4-yl)-1H-imidazole has a molecular weight of 152.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-1H-imidazole is sourced from PubChem (CID 129451563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).