1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide

C18H20N4O2 — CID 75461031

IUPAC1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H20N4O2/c1-13-17(14(2)24-20-13)12-21(3)18(23)16-9-19-22(11-16)10-15-7-5-4-6-8-15/h4-9,11H,10,12H2,1-3H3
InChIKeySNLWAKKKNYTXNI-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.81
Rot. Bonds5

About 1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide

1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide (PubChem CID 75461031) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
PubChem CID75461031
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H20N4O2/c1-13-17(14(2)24-20-13)12-21(3)18(23)16-9-19-22(11-16)10-15-7-5-4-6-8-15/h4-9,11H,10,12H2,1-3H3
InChIKeySNLWAKKKNYTXNI-UHFFFAOYSA-N
XLogP2.81
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 31674136
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1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836
1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
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N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide
CID 136539407
(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 94665811
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one
CID 143767120
3,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103907755
N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30297754
3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 55652909
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide (CID 75461031) is 1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide is Cc1noc(C)c1CN(C)C(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide?
The InChIKey is SNLWAKKKNYTXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-17(14(2)24-20-13)12-21(3)18(23)16-9-19-22(11-16)10-15-7-5-4-6-8-15/h4-9,11H,10,12H2,1-3H3.
What are the key properties of 1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide?
1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 75461031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).