[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone

C16H19FN4O2 — CID 24674509

IUPAC[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCCc1nnc(CN2CCN(C(=O)c3ccccc3F)CC2)o1
InChIInChI=1S/C16H19FN4O2/c1-2-14-18-19-15(23-14)11-20-7-9-21(10-8-20)16(22)12-5-3-4-6-13(12)17/h3-6H,2,7-11H2,1H3
InChIKeyQPXVWNZRWIADKF-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.73
Rot. Bonds4

About [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone

[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 24674509) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID24674509
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCCc1nnc(CN2CCN(C(=O)c3ccccc3F)CC2)o1
InChIInChI=1S/C16H19FN4O2/c1-2-14-18-19-15(23-14)11-20-7-9-21(10-8-20)16(22)12-5-3-4-6-13(12)17/h3-6H,2,7-11H2,1H3
InChIKeyQPXVWNZRWIADKF-UHFFFAOYSA-N
XLogP1.73
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-{[(5-{[(2-fluorobenzoyl)amino]methyl}-1,3,4-oxadiazol-2-yl)thio]acetyl}piperazine-1-carboxylate
CID 3242129
N-((5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide
CID 4301104
N-[(5-{[2-(Azepan-1-YL)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-YL)methyl]-2-fluorobenzamide
CID 4549133
4-fluoro-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205260
N-[(5-{[(Benzylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-YL)methyl]-2-fluorobenzamide
CID 4672781
4-fluoro-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205259
2,6-difluoro-N-((5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 7205292
2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205293
N-((5-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 7502161
N-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide
CID 7502323
2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502448
2-fluoro-N-({5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-oxadiazol-2-yl}methyl)benzamide
CID 3245600

Frequently Asked Questions

What is the IUPAC name of [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone (CID 24674509) is [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone is CCc1nnc(CN2CCN(C(=O)c3ccccc3F)CC2)o1.
What is the InChIKey of [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is QPXVWNZRWIADKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-2-14-18-19-15(23-14)11-20-7-9-21(10-8-20)16(22)12-5-3-4-6-13(12)17/h3-6H,2,7-11H2,1H3.
What are the key properties of [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 318.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 24674509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).