2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

C28H36FN5O2 — CID 58055717

IUPAC2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)(C)C)n3)cc2F)CC1
InChIInChI=1S/C28H36FN5O2/c1-6-32(7-2)26(35)24(20-11-9-8-10-12-20)34-17-15-33(16-18-34)23-14-13-21(19-22(23)29)25-30-27(36-31-25)28(3,4)5/h8-14,19,24H,6-7,15-18H2,1-5H3
InChIKeyKJRGMGDNLGNNMF-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.90
Rot. Bonds7

About 2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide (PubChem CID 58055717) has the molecular formula C28H36FN5O2 and a molecular weight of 493.63 g/mol. Its IUPAC name is 2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
PubChem CID58055717
Molecular FormulaC28H36FN5O2
Molecular Weight493.63 g/mol
Exact Mass493.29
IUPAC Name2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)(C)C)n3)cc2F)CC1
InChIInChI=1S/C28H36FN5O2/c1-6-32(7-2)26(35)24(20-11-9-8-10-12-20)34-17-15-33(16-18-34)23-14-13-21(19-22(23)29)25-30-27(36-31-25)28(3,4)5/h8-14,19,24H,6-7,15-18H2,1-5H3
InChIKeyKJRGMGDNLGNNMF-UHFFFAOYSA-N
XLogP4.90
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide (CID 58055717) is 2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)(C)C)n3)cc2F)CC1.
What is the InChIKey of 2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The InChIKey is KJRGMGDNLGNNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN5O2/c1-6-32(7-2)26(35)24(20-11-9-8-10-12-20)34-17-15-33(16-18-34)23-14-13-21(19-22(23)29)25-30-27(36-31-25)28(3,4)5/h8-14,19,24H,6-7,15-18H2,1-5H3.
What are the key properties of 2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide has a molecular weight of 493.63 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 58055717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).