N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide

C20H21FN4O2 — CID 133293554

IUPACN-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide
SMILESO=C(NCCN1CCN(c2nc3ccccc3o2)CC1)c1ccccc1F
InChIInChI=1S/C20H21FN4O2/c21-16-6-2-1-5-15(16)19(26)22-9-10-24-11-13-25(14-12-24)20-23-17-7-3-4-8-18(17)27-20/h1-8H,9-14H2,(H,22,26)
InChIKeyZNFIPSSZOQZXQZ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.52
Rot. Bonds5

About N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide

N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide (PubChem CID 133293554) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide
PubChem CID133293554
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide
SMILESO=C(NCCN1CCN(c2nc3ccccc3o2)CC1)c1ccccc1F
InChIInChI=1S/C20H21FN4O2/c21-16-6-2-1-5-15(16)19(26)22-9-10-24-11-13-25(14-12-24)20-23-17-7-3-4-8-18(17)27-20/h1-8H,9-14H2,(H,22,26)
InChIKeyZNFIPSSZOQZXQZ-UHFFFAOYSA-N
XLogP2.52
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide
CID 133372539
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-chlorobenzamide
CID 121109413
3-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]propyl N-(4-amino-2,6-difluorophenyl)carbamate
CID 78426824
2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
CID 111488179
N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 120848299
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 146080024
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide (CID 133293554) is N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide is O=C(NCCN1CCN(c2nc3ccccc3o2)CC1)c1ccccc1F.
What is the InChIKey of N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide?
The InChIKey is ZNFIPSSZOQZXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-16-6-2-1-5-15(16)19(26)22-9-10-24-11-13-25(14-12-24)20-23-17-7-3-4-8-18(17)27-20/h1-8H,9-14H2,(H,22,26).
What are the key properties of N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide?
N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide has a molecular weight of 368.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 133293554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).