oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine

C14H14F3N3O — CID 114720059

IUPACoxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine
SMILESNC(c1cncn1-c1cc(F)cc(F)c1F)C1CCOC1
InChIInChI=1S/C14H14F3N3O/c15-9-3-10(16)13(17)11(4-9)20-7-19-5-12(20)14(18)8-1-2-21-6-8/h3-5,7-8,14H,1-2,6,18H2
InChIKeyCTXHLONEKPGDGK-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.33
Rot. Bonds3

About oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine

oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine (PubChem CID 114720059) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Nameoxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine
PubChem CID114720059
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Nameoxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine
SMILESNC(c1cncn1-c1cc(F)cc(F)c1F)C1CCOC1
InChIInChI=1S/C14H14F3N3O/c15-9-3-10(16)13(17)11(4-9)20-7-19-5-12(20)14(18)8-1-2-21-6-8/h3-5,7-8,14H,1-2,6,18H2
InChIKeyCTXHLONEKPGDGK-UHFFFAOYSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717791
[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720771
[3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717621
[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 107649077
[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716207
[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717533
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-4-methylbenzonitrile
CID 114719865
4-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-3-bromobenzonitrile
CID 107795830
(3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 114722429
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716228
[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718920

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine?
The IUPAC name of oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine (CID 114720059) is oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine?
The canonical SMILES for oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine is NC(c1cncn1-c1cc(F)cc(F)c1F)C1CCOC1.
What is the InChIKey of oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine?
The InChIKey is CTXHLONEKPGDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-9-3-10(16)13(17)11(4-9)20-7-19-5-12(20)14(18)8-1-2-21-6-8/h3-5,7-8,14H,1-2,6,18H2.
What are the key properties of oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine?
oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine has a molecular weight of 297.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 114720059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).