3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile

C15H15N3O — CID 116882538

IUPAC3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
SMILESCCc1ccc(-c2cnc(C3(C#N)COC3)[nH]2)cc1
InChIInChI=1S/C15H15N3O/c1-2-11-3-5-12(6-4-11)13-7-17-14(18-13)15(8-16)9-19-10-15/h3-7H,2,9-10H2,1H3,(H,17,18)
InChIKeyQGMTXDIPAMYVCO-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.43
Rot. Bonds3

About 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile

3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile (PubChem CID 116882538) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
PubChem CID116882538
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
SMILESCCc1ccc(-c2cnc(C3(C#N)COC3)[nH]2)cc1
InChIInChI=1S/C15H15N3O/c1-2-11-3-5-12(6-4-11)13-7-17-14(18-13)15(8-16)9-19-10-15/h3-7H,2,9-10H2,1H3,(H,17,18)
InChIKeyQGMTXDIPAMYVCO-UHFFFAOYSA-N
XLogP2.43
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
CID 116882227
3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetane-3-carbonitrile
CID 116882579
3-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882582
5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile
CID 14455646
3-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882557
1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
CID 116882166
3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882561
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882580
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881844
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880113
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881851
1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881914

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile?
The IUPAC name of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile (CID 116882538) is 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile is CCc1ccc(-c2cnc(C3(C#N)COC3)[nH]2)cc1.
What is the InChIKey of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile?
The InChIKey is QGMTXDIPAMYVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-11-3-5-12(6-4-11)13-7-17-14(18-13)15(8-16)9-19-10-15/h3-7H,2,9-10H2,1H3,(H,17,18).
What are the key properties of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile?
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile is sourced from PubChem (CID 116882538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).