2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide

C23H19N5O3S — CID 71931589

IUPAC2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)C1=O
InChIInChI=1S/C23H19N5O3S/c1-15-22(30)27(19-5-2-3-6-20(19)31-15)13-21(29)26-23-25-18(14-32-23)16-7-9-17(10-8-16)28-12-4-11-24-28/h2-12,14-15H,13H2,1H3,(H,25,26,29)
InChIKeyLJFLXRATZZDBHI-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.75
Rot. Bonds5

About 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 71931589) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID71931589
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)C1=O
InChIInChI=1S/C23H19N5O3S/c1-15-22(30)27(19-5-2-3-6-20(19)31-15)13-21(29)26-23-25-18(14-32-23)16-7-9-17(10-8-16)28-12-4-11-24-28/h2-12,14-15H,13H2,1H3,(H,25,26,29)
InChIKeyLJFLXRATZZDBHI-UHFFFAOYSA-N
XLogP3.75
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 18132597
2-(6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 84562275
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 43063137
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 112806734
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24586754
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 17449384
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 24586548
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 33040945
(1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 167848903
N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 124607935
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1193133

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide (CID 71931589) is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide is CC1Oc2ccccc2N(CC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)C1=O.
What is the InChIKey of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LJFLXRATZZDBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-15-22(30)27(19-5-2-3-6-20(19)31-15)13-21(29)26-23-25-18(14-32-23)16-7-9-17(10-8-16)28-12-4-11-24-28/h2-12,14-15H,13H2,1H3,(H,25,26,29).
What are the key properties of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 445.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71931589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).