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

C18H20N4O3 — CID 57422281

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1cnn(Cc2c(C)noc2C)c1
InChIInChI=1S/C18H20N4O3/c1-12-16(13(2)25-21-12)11-22-10-15(9-19-22)20-18(23)8-14-6-4-5-7-17(14)24-3/h4-7,9-10H,8,11H2,1-3H3,(H,20,23)
InChIKeyRAYQCUAXPIUNDR-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.73
Rot. Bonds6

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

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide (PubChem CID 57422281) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
PubChem CID57422281
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1cnn(Cc2c(C)noc2C)c1
InChIInChI=1S/C18H20N4O3/c1-12-16(13(2)25-21-12)11-22-10-15(9-19-22)20-18(23)8-14-6-4-5-7-17(14)24-3/h4-7,9-10H,8,11H2,1-3H3,(H,20,23)
InChIKeyRAYQCUAXPIUNDR-UHFFFAOYSA-N
XLogP2.73
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 58409595
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxybenzamide
CID 155567505
1-(2-chloroethyl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea
CID 57422492
2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
CID 125164163
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 3485366
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 57422291
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylsulfanylthiophene-2-carboxamide
CID 3760889
(E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide
CID 74225105
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine
CID 153203644
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 30826058
N-(3-benzyl-4-methoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 27038879
1-(2,3-dihydro-1H-inden-2-yl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 4626703

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide (CID 57422281) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1cnn(Cc2c(C)noc2C)c1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is RAYQCUAXPIUNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-16(13(2)25-21-12)11-22-10-15(9-19-22)20-18(23)8-14-6-4-5-7-17(14)24-3/h4-7,9-10H,8,11H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 57422281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).