(6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone

C13H14FN3O2 — CID 10038393

IUPAC(6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nc3ccc(F)cc3o2)CC1
InChIInChI=1S/C13H14FN3O2/c1-16-4-6-17(7-5-16)13(18)12-15-10-3-2-9(14)8-11(10)19-12/h2-3,8H,4-7H2,1H3
InChIKeyGGTCYRJULGDYOB-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.35
Rot. Bonds1

About (6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone

(6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 10038393) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is (6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID10038393
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name(6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nc3ccc(F)cc3o2)CC1
InChIInChI=1S/C13H14FN3O2/c1-16-4-6-17(7-5-16)13(18)12-15-10-3-2-9(14)8-11(10)19-12/h2-3,8H,4-7H2,1H3
InChIKeyGGTCYRJULGDYOB-UHFFFAOYSA-N
XLogP1.35
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
CID 175649082
(7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 110489748
(6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 153311243
cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone
CID 123320554
[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 162432808
[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 167448268
(4-fluoro-2-hydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 113346238
[3-fluoro-4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621481
(5-fluoro-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 60875443
6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 53016826
3-(6-fluoro-1,3-benzoxazol-2-yl)-2,2-dimethylpropanoic acid
CID 83870285
2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 135312387

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 10038393) is (6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2nc3ccc(F)cc3o2)CC1.
What is the InChIKey of (6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GGTCYRJULGDYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-16-4-6-17(7-5-16)13(18)12-15-10-3-2-9(14)8-11(10)19-12/h2-3,8H,4-7H2,1H3.
What are the key properties of (6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 263.27 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 10038393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).