N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C20H19N5O2S — CID 31908428

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)Cc3nc(-c4cccs4)oc3C)cn2)n1
InChIInChI=1S/C20H19N5O2S/c1-12-9-13(2)25(24-12)18-7-6-15(11-21-18)22-19(26)10-16-14(3)27-20(23-16)17-5-4-8-28-17/h4-9,11H,10H2,1-3H3,(H,22,26)
InChIKeyKQCCHVXVDKRYCQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.09
Rot. Bonds5

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 31908428) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID31908428
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)Cc3nc(-c4cccs4)oc3C)cn2)n1
InChIInChI=1S/C20H19N5O2S/c1-12-9-13(2)25(24-12)18-7-6-15(11-21-18)22-19(26)10-16-14(3)27-20(23-16)17-5-4-8-28-17/h4-9,11H,10H2,1-3H3,(H,22,26)
InChIKeyKQCCHVXVDKRYCQ-UHFFFAOYSA-N
XLogP4.09
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methoxy-3-pyridinyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701834
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 31046848
N-(4-methyl-2-oxochromen-7-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 42937652
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 55889281
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 24627985
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 31703372
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 56507705
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627396
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 31908428) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1cc(C)n(-c2ccc(NC(=O)Cc3nc(-c4cccs4)oc3C)cn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is KQCCHVXVDKRYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-12-9-13(2)25(24-12)18-7-6-15(11-21-18)22-19(26)10-16-14(3)27-20(23-16)17-5-4-8-28-17/h4-9,11H,10H2,1-3H3,(H,22,26).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 393.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 31908428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).