4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide

C22H23FN4O2 — CID 166241267

IUPAC4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1ncco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN4O2/c23-18-6-8-19(9-7-18)26-11-13-27(14-12-26)22(28)25-20(21-24-10-15-29-21)16-17-4-2-1-3-5-17/h1-10,15,20H,11-14,16H2,(H,25,28)
InChIKeyFVNWADHINDGHFB-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.63
Rot. Bonds5

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

4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide (PubChem CID 166241267) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide
PubChem CID166241267
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1ncco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN4O2/c23-18-6-8-19(9-7-18)26-11-13-27(14-12-26)22(28)25-20(21-24-10-15-29-21)16-17-4-2-1-3-5-17/h1-10,15,20H,11-14,16H2,(H,25,28)
InChIKeyFVNWADHINDGHFB-UHFFFAOYSA-N
XLogP3.63
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide (CID 166241267) is 4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide is O=C(NC(Cc1ccccc1)c1ncco1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide?
The InChIKey is FVNWADHINDGHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-18-6-8-19(9-7-18)26-11-13-27(14-12-26)22(28)25-20(21-24-10-15-29-21)16-17-4-2-1-3-5-17/h1-10,15,20H,11-14,16H2,(H,25,28).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 166241267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).