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

C25H26N4O3 — CID 41419173

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NCc2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C25H26N4O3/c1-18-24(19(2)32-28-18)17-31-23-10-8-20(9-11-23)14-25(30)26-15-21-6-3-4-7-22(21)16-29-13-5-12-27-29/h3-13H,14-17H2,1-2H3,(H,26,30)
InChIKeyVOLSFVNUGCVUTJ-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.97
Rot. Bonds9

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

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 41419173) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID41419173
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NCc2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C25H26N4O3/c1-18-24(19(2)32-28-18)17-31-23-10-8-20(9-11-23)14-25(30)26-15-21-6-3-4-7-22(21)16-29-13-5-12-27-29/h3-13H,14-17H2,1-2H3,(H,26,30)
InChIKeyVOLSFVNUGCVUTJ-UHFFFAOYSA-N
XLogP3.97
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-prop-2-enylacetamide
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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-(4-phenylmethoxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 41419173) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is Cc1noc(C)c1COc1ccc(CC(=O)NCc2ccccc2Cn2cccn2)cc1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is VOLSFVNUGCVUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-18-24(19(2)32-28-18)17-31-23-10-8-20(9-11-23)14-25(30)26-15-21-6-3-4-7-22(21)16-29-13-5-12-27-29/h3-13H,14-17H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 3.97, 9 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-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 41419173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).