2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride

C15H19ClFN3O — CID 119916620

IUPAC2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
SMILESCC1CNCCN1Cc1coc(-c2cccc(F)c2)n1.Cl
InChIInChI=1S/C15H18FN3O.ClH/c1-11-8-17-5-6-19(11)9-14-10-20-15(18-14)12-3-2-4-13(16)7-12;/h2-4,7,10-11,17H,5-6,8-9H2,1H3;1H
InChIKeySYILVKLHKYUXGW-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.70
Rot. Bonds3

About 2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride

2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride (PubChem CID 119916620) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
PubChem CID119916620
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC Name2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
SMILESCC1CNCCN1Cc1coc(-c2cccc(F)c2)n1.Cl
InChIInChI=1S/C15H18FN3O.ClH/c1-11-8-17-5-6-19(11)9-14-10-20-15(18-14)12-3-2-4-13(16)7-12;/h2-4,7,10-11,17H,5-6,8-9H2,1H3;1H
InChIKeySYILVKLHKYUXGW-UHFFFAOYSA-N
XLogP2.70
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride (CID 119916620) is 2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride is CC1CNCCN1Cc1coc(-c2cccc(F)c2)n1.Cl.
What is the InChIKey of 2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
The InChIKey is SYILVKLHKYUXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O.ClH/c1-11-8-17-5-6-19(11)9-14-10-20-15(18-14)12-3-2-4-13(16)7-12;/h2-4,7,10-11,17H,5-6,8-9H2,1H3;1H.
What are the key properties of 2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride has a molecular weight of 311.79 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 119916620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).