5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide

C26H23FN4O4 — CID 53122984

IUPAC5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1ncoc1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H23FN4O4/c27-18-7-9-19(10-8-18)30-11-13-31(14-12-30)26(33)22-6-2-1-5-21(22)24-23(29-17-35-24)25(32)28-16-20-4-3-15-34-20/h1-10,15,17H,11-14,16H2,(H,28,32)
InChIKeyYUZHDSZTQWBOPR-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.97
Rot. Bonds6

About 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide

5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 53122984) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID53122984
Molecular FormulaC26H23FN4O4
Molecular Weight474.49 g/mol
Exact Mass474.17
IUPAC Name5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1ncoc1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H23FN4O4/c27-18-7-9-19(10-8-18)30-11-13-31(14-12-30)26(33)22-6-2-1-5-21(22)24-23(29-17-35-24)25(32)28-16-20-4-3-15-34-20/h1-10,15,17H,11-14,16H2,(H,28,32)
InChIKeyYUZHDSZTQWBOPR-UHFFFAOYSA-N
XLogP3.97
TPSA91.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 53122998
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122805
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209475
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346154
4-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N'-methylpiperazine-1-carboximidamide
CID 111165687
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]methanone
CID 109326797
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109231488
5-[2-(azepane-1-carbonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53122961
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47089973
3-[[[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 111164997

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 53122984) is 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is O=C(NCc1ccco1)c1ncoc1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YUZHDSZTQWBOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4/c27-18-7-9-19(10-8-18)30-11-13-31(14-12-30)26(33)22-6-2-1-5-21(22)24-23(29-17-35-24)25(32)28-16-20-4-3-15-34-20/h1-10,15,17H,11-14,16H2,(H,28,32).
What are the key properties of 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53122984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).