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

C15H18FN3O — CID 104976745

IUPAC2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
SMILESC[C@H]1CN(Cc2coc(-c3cccc(F)c3)n2)CCN1
InChIInChI=1S/C15H18FN3O/c1-11-8-19(6-5-17-11)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/t11-/m0/s1
InChIKeyBVCQEKINDXTMDP-NSHDSACASA-N
MW275.33 g/mol
LogP2.27
Rot. Bonds3

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

2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 104976745) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
PubChem CID104976745
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
SMILESC[C@H]1CN(Cc2coc(-c3cccc(F)c3)n2)CCN1
InChIInChI=1S/C15H18FN3O/c1-11-8-19(6-5-17-11)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/t11-/m0/s1
InChIKeyBVCQEKINDXTMDP-NSHDSACASA-N
XLogP2.27
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine
CID 65249857
2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119924520
2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119916620
[1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanol
CID 60768867
4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 65462999
(2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine
CID 94066350
2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 166360904
(2S)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95283755
[(3R,4R)-1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759267
(2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95610123
1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 34181776
2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 43348646

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole (CID 104976745) is 2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole is C[C@H]1CN(Cc2coc(-c3cccc(F)c3)n2)CCN1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is BVCQEKINDXTMDP-NSHDSACASA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11-8-19(6-5-17-11)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/t11-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole?
2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 275.33 g/mol, XLogP of 2.27, 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-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 104976745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).