2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

C25H30N4O3 — CID 43024851

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2N2CCN(C)CC2)cc1
InChIInChI=1S/C25H30N4O3/c1-18-22(19(2)32-27-18)17-31-21-10-8-20(9-11-21)16-25(30)26-23-6-4-5-7-24(23)29-14-12-28(3)13-15-29/h4-11H,12-17H2,1-3H3,(H,26,30)
InChIKeyFAILZJUWPAKUCQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.80
Rot. Bonds7

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 43024851) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID43024851
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2N2CCN(C)CC2)cc1
InChIInChI=1S/C25H30N4O3/c1-18-22(19(2)32-27-18)17-31-21-10-8-20(9-11-21)16-25(30)26-23-6-4-5-7-24(23)29-14-12-28(3)13-15-29/h4-11H,12-17H2,1-3H3,(H,26,30)
InChIKeyFAILZJUWPAKUCQ-UHFFFAOYSA-N
XLogP3.80
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 55359320
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2,5-dimethylphenyl)acetamide
CID 26500066
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 26813630
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30182310
N-(2,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26115421
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(3,5-dimethylphenyl)acetamide
CID 7961030
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 112827759
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 35028531

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 43024851) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2N2CCN(C)CC2)cc1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is FAILZJUWPAKUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18-22(19(2)32-27-18)17-31-21-10-8-20(9-11-21)16-25(30)26-23-6-4-5-7-24(23)29-14-12-28(3)13-15-29/h4-11H,12-17H2,1-3H3,(H,26,30).
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 43024851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).