N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

C27H26FN5O2 — CID 50828794

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESO=C(NCCN1CCN(c2ccccc2F)CC1)c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C27H26FN5O2/c28-23-11-4-5-12-24(23)33-17-15-32(16-18-33)14-13-29-26(34)21-9-6-10-22(19-21)27-30-25(31-35-27)20-7-2-1-3-8-20/h1-12,19H,13-18H2,(H,29,34)
InChIKeyMKHKFWOWJWIZPA-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.09
Rot. Bonds7

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 50828794) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID50828794
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESO=C(NCCN1CCN(c2ccccc2F)CC1)c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C27H26FN5O2/c28-23-11-4-5-12-24(23)33-17-15-32(16-18-33)14-13-29-26(34)21-9-6-10-22(19-21)27-30-25(31-35-27)20-7-2-1-3-8-20/h1-12,19H,13-18H2,(H,29,34)
InChIKeyMKHKFWOWJWIZPA-UHFFFAOYSA-N
XLogP4.09
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 50828794) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is O=C(NCCN1CCN(c2ccccc2F)CC1)c1cccc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is MKHKFWOWJWIZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c28-23-11-4-5-12-24(23)33-17-15-32(16-18-33)14-13-29-26(34)21-9-6-10-22(19-21)27-30-25(31-35-27)20-7-2-1-3-8-20/h1-12,19H,13-18H2,(H,29,34).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 471.54 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 50828794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).