N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide

C19H20FN5O2 — CID 17149061

IUPACN-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2F)CC1)Nc1cccc2nonc12
InChIInChI=1S/C19H20FN5O2/c20-15-5-2-1-4-14(15)12-24-8-10-25(11-9-24)13-18(26)21-16-6-3-7-17-19(16)23-27-22-17/h1-7H,8-13H2,(H,21,26)
InChIKeyMMSOOTUVDKKQSZ-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.12
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide

N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 17149061) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID17149061
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2F)CC1)Nc1cccc2nonc12
InChIInChI=1S/C19H20FN5O2/c20-15-5-2-1-4-14(15)12-24-8-10-25(11-9-24)13-18(26)21-16-6-3-7-17-19(16)23-27-22-17/h1-7H,8-13H2,(H,21,26)
InChIKeyMMSOOTUVDKKQSZ-UHFFFAOYSA-N
XLogP2.12
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 17149061) is N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccccc2F)CC1)Nc1cccc2nonc12.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is MMSOOTUVDKKQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-15-5-2-1-4-14(15)12-24-8-10-25(11-9-24)13-18(26)21-16-6-3-7-17-19(16)23-27-22-17/h1-7H,8-13H2,(H,21,26).
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 369.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 17149061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).