3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one

C26H26FN5O4 — CID 134051824

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(-c2noc(CN3CCN(C(=O)CCc4ncc(-c5ccccc5F)o4)CC3)n2)cc1
InChIInChI=1S/C26H26FN5O4/c1-34-19-8-6-18(7-9-19)26-29-24(36-30-26)17-31-12-14-32(15-13-31)25(33)11-10-23-28-16-22(35-23)20-4-2-3-5-21(20)27/h2-9,16H,10-15,17H2,1H3
InChIKeyDZFKWNNVYDZMJY-UHFFFAOYSA-N
MW491.52 g/mol
LogP3.82
Rot. Bonds8

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 134051824) has the molecular formula C26H26FN5O4 and a molecular weight of 491.52 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
PubChem CID134051824
Molecular FormulaC26H26FN5O4
Molecular Weight491.52 g/mol
Exact Mass491.20
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(-c2noc(CN3CCN(C(=O)CCc4ncc(-c5ccccc5F)o4)CC3)n2)cc1
InChIInChI=1S/C26H26FN5O4/c1-34-19-8-6-18(7-9-19)26-29-24(36-30-26)17-31-12-14-32(15-13-31)25(33)11-10-23-28-16-22(35-23)20-4-2-3-5-21(20)27/h2-9,16H,10-15,17H2,1H3
InChIKeyDZFKWNNVYDZMJY-UHFFFAOYSA-N
XLogP3.82
TPSA97.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-methylacetamide
CID 134011866
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 53148661
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-one
CID 39686604
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 24595519
1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021740
2-(3-chloro-4-fluorophenoxy)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 55560210
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 56524158
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55637992
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one
CID 39586227
1-[3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylurea
CID 24614323
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 26113719
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 78835844

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one (CID 134051824) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one is COc1ccc(-c2noc(CN3CCN(C(=O)CCc4ncc(-c5ccccc5F)o4)CC3)n2)cc1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is DZFKWNNVYDZMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4/c1-34-19-8-6-18(7-9-19)26-29-24(36-30-26)17-31-12-14-32(15-13-31)25(33)11-10-23-28-16-22(35-23)20-4-2-3-5-21(20)27/h2-9,16H,10-15,17H2,1H3.
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 491.52 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 134051824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).