N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide

C24H26N4O4 — CID 45236793

IUPACN-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
SMILESCN(Cc1ccno1)C(=O)CC1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H26N4O4/c1-27(17-21-10-11-26-32-21)23(29)15-22-24(30)25-12-13-28(22)16-18-6-5-9-20(14-18)31-19-7-3-2-4-8-19/h2-11,14,22H,12-13,15-17H2,1H3,(H,25,30)
InChIKeyFIKAQRYTESNTRM-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.82
Rot. Bonds8

About N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide

N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide (PubChem CID 45236793) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
PubChem CID45236793
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
SMILESCN(Cc1ccno1)C(=O)CC1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H26N4O4/c1-27(17-21-10-11-26-32-21)23(29)15-22-24(30)25-12-13-28(22)16-18-6-5-9-20(14-18)31-19-7-3-2-4-8-19/h2-11,14,22H,12-13,15-17H2,1H3,(H,25,30)
InChIKeyFIKAQRYTESNTRM-UHFFFAOYSA-N
XLogP2.82
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide
CID 56884358
N-methyl-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95720629
2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 42305682
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 24791559
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 45215120
N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 42094081
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 45172728
2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 45248092
N-methyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-phenoxyethyl)acetamide
CID 45191747
2-(1-benzyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 50953336
2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45228056
2-[(2S)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 42521563

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide (CID 45236793) is N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide is CN(Cc1ccno1)C(=O)CC1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide?
The InChIKey is FIKAQRYTESNTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-27(17-21-10-11-26-32-21)23(29)15-22-24(30)25-12-13-28(22)16-18-6-5-9-20(14-18)31-19-7-3-2-4-8-19/h2-11,14,22H,12-13,15-17H2,1H3,(H,25,30).
What are the key properties of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide?
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide has a molecular weight of 434.50 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 45236793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).