2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

C22H22N4O3 — CID 108792024

IUPAC2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1cc2onc(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2cc1C
InChIInChI=1S/C22H22N4O3/c1-13-10-17-18(24-29-19(17)11-14(13)2)12-20(27)23-21-15(3)25(4)26(22(21)28)16-8-6-5-7-9-16/h5-11H,12H2,1-4H3,(H,23,27)
InChIKeyFSKFOLNGQIUXRB-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.42
Rot. Bonds4

About 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (PubChem CID 108792024) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
PubChem CID108792024
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1cc2onc(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2cc1C
InChIInChI=1S/C22H22N4O3/c1-13-10-17-18(24-29-19(17)11-14(13)2)12-20(27)23-21-15(3)25(4)26(22(21)28)16-8-6-5-7-9-16/h5-11H,12H2,1-4H3,(H,23,27)
InChIKeyFSKFOLNGQIUXRB-UHFFFAOYSA-N
XLogP3.42
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6222057
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2450412
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dimethylphenyl)acetamide
CID 28631931
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 108804393
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799589
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 108792125
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 2709614
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 17011657
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4870042
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 108792078

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CID 108792024) is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is Cc1cc2onc(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The InChIKey is FSKFOLNGQIUXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-10-17-18(24-29-19(17)11-14(13)2)12-20(27)23-21-15(3)25(4)26(22(21)28)16-8-6-5-7-9-16/h5-11H,12H2,1-4H3,(H,23,27).
What are the key properties of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 108792024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).