N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C25H28N4O2 — CID 9347048

IUPACN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CN3CCN(C/C=C/c4ccccc4)CC3)on2)cc1
InChIInChI=1S/C25H28N4O2/c1-20-9-11-22(12-10-20)23-18-25(31-27-23)26-24(30)19-29-16-14-28(15-17-29)13-5-8-21-6-3-2-4-7-21/h2-12,18H,13-17,19H2,1H3,(H,26,30)/b8-5+
InChIKeyOHECFFKMHYNATR-VMPITWQZSA-N
MW416.53 g/mol
LogP3.92
Rot. Bonds7

About N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 9347048) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID9347048
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CN3CCN(C/C=C/c4ccccc4)CC3)on2)cc1
InChIInChI=1S/C25H28N4O2/c1-20-9-11-22(12-10-20)23-18-25(31-27-23)26-24(30)19-29-16-14-28(15-17-29)13-5-8-21-6-3-2-4-7-21/h2-12,18H,13-17,19H2,1H3,(H,26,30)/b8-5+
InChIKeyOHECFFKMHYNATR-VMPITWQZSA-N
XLogP3.92
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9361796
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346578
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9348036
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346296
N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 18084912
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 9346121
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 119043152
(5-methyl-1,2-oxazol-3-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1246806
2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 7594665
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 9347048) is N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is Cc1ccc(-c2cc(NC(=O)CN3CCN(C/C=C/c4ccccc4)CC3)on2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is OHECFFKMHYNATR-VMPITWQZSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-20-9-11-22(12-10-20)23-18-25(31-27-23)26-24(30)19-29-16-14-28(15-17-29)13-5-8-21-6-3-2-4-7-21/h2-12,18H,13-17,19H2,1H3,(H,26,30)/b8-5+.
What are the key properties of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9347048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).