2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide

C23H25N5O4 — CID 34588783

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1
InChIInChI=1S/C23H25N5O4/c1-15-20(16(2)32-27-15)14-31-19-6-3-17(4-7-19)11-22(29)26-18-5-8-21(25-12-18)28-10-9-24-23(30)13-28/h3-8,12H,9-11,13-14H2,1-2H3,(H,24,30)(H,26,29)
InChIKeyIJANCRXIOZLRNA-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.38
Rot. Bonds7

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 34588783) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
PubChem CID34588783
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1
InChIInChI=1S/C23H25N5O4/c1-15-20(16(2)32-27-15)14-31-19-6-3-17(4-7-19)11-22(29)26-18-5-8-21(25-12-18)28-10-9-24-23(30)13-28/h3-8,12H,9-11,13-14H2,1-2H3,(H,24,30)(H,26,29)
InChIKeyIJANCRXIOZLRNA-UHFFFAOYSA-N
XLogP2.38
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46468087
2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34599898
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939648
N-(3,5-dimethoxyphenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 7960814
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(3,5-dimethylphenyl)acetamide
CID 7961030
N-(3,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26085736
2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939794
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 35028531
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30182310
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46404795
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 43024851

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide (CID 34588783) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide is Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is IJANCRXIOZLRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-15-20(16(2)32-27-15)14-31-19-6-3-17(4-7-19)11-22(29)26-18-5-8-21(25-12-18)28-10-9-24-23(30)13-28/h3-8,12H,9-11,13-14H2,1-2H3,(H,24,30)(H,26,29).
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 435.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 34588783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).