[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride

C10H10ClFN2O — CID 46736472

IUPAC[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C10H9FN2O.ClH/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10;/h1-5H,6,12H2;1H
InChIKeyBDESHLNQPGTMJU-UHFFFAOYSA-N
MW228.65 g/mol
LogP2.36
Rot. Bonds2

About [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride

[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride (PubChem CID 46736472) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride
PubChem CID46736472
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C10H9FN2O.ClH/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10;/h1-5H,6,12H2;1H
InChIKeyBDESHLNQPGTMJU-UHFFFAOYSA-N
XLogP2.36
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
3,5-Dimethyl-4-phenylisoxazole
CID 5325760
1-Propyl-5-(3-p-tolylisoxazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 9817231
3-Methyl-5-phenylisoxazole
CID 136804
5-Amino-3-phenylisoxazole
CID 261201
3-(4-Methylphenyl)-1,2-oxazol-5-amine
CID 576446
3-Phenylisoxazole
CID 136798
5-Methyl-3-phenyl-1,2-oxazole
CID 136803
5-Tert-butyl-3-phenyl-1,2-oxazole
CID 2853311
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
3-(2-fluorophenyl)-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepine
CID 135367399
3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepine
CID 135367820

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride (CID 46736472) is [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride is Cl.NCc1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride?
The InChIKey is BDESHLNQPGTMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O.ClH/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10;/h1-5H,6,12H2;1H.
What are the key properties of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride?
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride has a molecular weight of 228.65 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 46736472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).