3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide

C22H24N4O2 — CID 166351505

IUPAC3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)c1conc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c27-22(20-17-28-24-21(20)18-7-3-1-4-8-18)23-11-12-25-13-15-26(16-14-25)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,27)
InChIKeyHDALTXHFJAMQLL-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.89
Rot. Bonds6

About 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide

3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 166351505) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID166351505
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)c1conc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c27-22(20-17-28-24-21(20)18-7-3-1-4-8-18)23-11-12-25-13-15-26(16-14-25)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,27)
InChIKeyHDALTXHFJAMQLL-UHFFFAOYSA-N
XLogP2.89
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772105
3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 100771698
2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 30899733
3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 30885160
N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772034
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
N-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 23447869
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 166351505) is 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide is O=C(NCCN1CCN(c2ccccc2)CC1)c1conc1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is HDALTXHFJAMQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(20-17-28-24-21(20)18-7-3-1-4-8-18)23-11-12-25-13-15-26(16-14-25)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,27).
What are the key properties of 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166351505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).