N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide

C21H19FN4O3 — CID 90514908

IUPACN-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)co1)c1ccccc1
InChIInChI=1S/C21H19FN4O3/c22-16-6-8-17(9-7-16)25-10-12-26(13-11-25)20(28)18-14-29-21(23-18)24-19(27)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,24,27)
InChIKeyBIJXUGZTJHPOLS-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.03
Rot. Bonds4

About N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide

N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 90514908) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
PubChem CID90514908
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC NameN-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)co1)c1ccccc1
InChIInChI=1S/C21H19FN4O3/c22-16-6-8-17(9-7-16)25-10-12-26(13-11-25)20(28)18-14-29-21(23-18)24-19(27)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,24,27)
InChIKeyBIJXUGZTJHPOLS-UHFFFAOYSA-N
XLogP3.03
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90515047
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90515030
N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide
CID 90515048
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]furan-2-carboxamide
CID 90515113
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-oxazol-2-yl]benzamide
CID 52907888
(4-ethylpiperazin-1-yl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42850996
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 84573425
N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16914901
[2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3854320

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide (CID 90514908) is N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide is O=C(Nc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)co1)c1ccccc1.
What is the InChIKey of N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is BIJXUGZTJHPOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-16-6-8-17(9-7-16)25-10-12-26(13-11-25)20(28)18-14-29-21(23-18)24-19(27)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,24,27).
What are the key properties of N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide?
N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 394.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 90514908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).