6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole

C19H23FN4O2 — CID 171998206

IUPAC6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
SMILESCC(C)c1ocnc1CN1CCN(Cc2noc3cc(F)ccc23)CC1
InChIInChI=1S/C19H23FN4O2/c1-13(2)19-17(21-12-25-19)11-24-7-5-23(6-8-24)10-16-15-4-3-14(20)9-18(15)26-22-16/h3-4,9,12-13H,5-8,10-11H2,1-2H3
InChIKeyFAAYNGLBPVLHIM-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.40
Rot. Bonds5

About 6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole

6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole (PubChem CID 171998206) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
PubChem CID171998206
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
SMILESCC(C)c1ocnc1CN1CCN(Cc2noc3cc(F)ccc23)CC1
InChIInChI=1S/C19H23FN4O2/c1-13(2)19-17(21-12-25-19)11-24-7-5-23(6-8-24)10-16-15-4-3-14(20)9-18(15)26-22-16/h3-4,9,12-13H,5-8,10-11H2,1-2H3
InChIKeyFAAYNGLBPVLHIM-UHFFFAOYSA-N
XLogP3.40
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole with MolForge

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Related Compounds

6-fluoro-3-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997189
3-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-fluoro-1,2-benzoxazole
CID 171704882
2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 171996006
6-fluoro-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997354
6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171996239
3-[[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-6-fluoro-1,2-benzoxazole
CID 171999160
6-fluoro-3-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171995587
6-fluoro-3-[[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998463
5-chloro-6-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 171997446
6-fluoro-3-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-1,2-benzoxazole
CID 171998313
3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol
CID 155258167
3-[3-(azepan-1-yl)propyl]-6-fluoro-1,2-benzoxazole
CID 13319879

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole (CID 171998206) is 6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole is CC(C)c1ocnc1CN1CCN(Cc2noc3cc(F)ccc23)CC1.
What is the InChIKey of 6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole?
The InChIKey is FAAYNGLBPVLHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-13(2)19-17(21-12-25-19)11-24-7-5-23(6-8-24)10-16-15-4-3-14(20)9-18(15)26-22-16/h3-4,9,12-13H,5-8,10-11H2,1-2H3.
What are the key properties of 6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole?
6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole has a molecular weight of 358.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole is sourced from PubChem (CID 171998206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).