4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride

C16H21ClFN3O — CID 120757064

IUPAC4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
SMILESCc1noc(C)c1CN1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C16H20FN3O.ClH/c1-11-15(12(2)21-19-11)10-20-7-6-18-9-16(20)13-4-3-5-14(17)8-13;/h3-5,8,16,18H,6-7,9-10H2,1-2H3;1H
InChIKeyNFVYCBDLHJOIDU-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.00
Rot. Bonds3

About 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride

4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride (PubChem CID 120757064) has the molecular formula C16H21ClFN3O and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
PubChem CID120757064
Molecular FormulaC16H21ClFN3O
Molecular Weight325.82 g/mol
Exact Mass325.14
IUPAC Name4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
SMILESCc1noc(C)c1CN1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C16H20FN3O.ClH/c1-11-15(12(2)21-19-11)10-20-7-6-18-9-16(20)13-4-3-5-14(17)8-13;/h3-5,8,16,18H,6-7,9-10H2,1-2H3;1H
InChIKeyNFVYCBDLHJOIDU-UHFFFAOYSA-N
XLogP3.00
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120757172
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120756844
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
2-(3-fluorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120768485
3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120757102
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768691

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride?
The IUPAC name of 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride (CID 120757064) is 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride?
The canonical SMILES for 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride is Cc1noc(C)c1CN1CCNCC1c1cccc(F)c1.Cl.
What is the InChIKey of 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride?
The InChIKey is NFVYCBDLHJOIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O.ClH/c1-11-15(12(2)21-19-11)10-20-7-6-18-9-16(20)13-4-3-5-14(17)8-13;/h3-5,8,16,18H,6-7,9-10H2,1-2H3;1H.
What are the key properties of 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride?
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride has a molecular weight of 325.82 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride is sourced from PubChem (CID 120757064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).