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

C18H20N4O3 — CID 57422280

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc1
InChIInChI=1S/C18H20N4O3/c1-12-17(13(2)25-21-12)11-22-10-15(9-19-22)20-18(23)8-14-4-6-16(24-3)7-5-14/h4-7,9-10H,8,11H2,1-3H3,(H,20,23)
InChIKeySWEWJNKQMIJIJA-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-(4-methoxyphenyl)acetamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 57422280) 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-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID57422280
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-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc1
InChIInChI=1S/C18H20N4O3/c1-12-17(13(2)25-21-12)11-22-10-15(9-19-22)20-18(23)8-14-4-6-16(24-3)7-5-14/h4-7,9-10H,8,11H2,1-3H3,(H,20,23)
InChIKeySWEWJNKQMIJIJA-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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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide (CID 57422280) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is SWEWJNKQMIJIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-17(13(2)25-21-12)11-22-10-15(9-19-22)20-18(23)8-14-4-6-16(24-3)7-5-14/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-(4-methoxyphenyl)acetamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(4-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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 57422280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).