3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide

C19H18N6O3 — CID 42653534

IUPAC3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc(C)n2ncc(-c3noc(C(=O)NCC(O)c4ccccc4)n3)c2n1
InChIInChI=1S/C19H18N6O3/c1-11-8-12(2)25-17(22-11)14(9-21-25)16-23-19(28-24-16)18(27)20-10-15(26)13-6-4-3-5-7-13/h3-9,15,26H,10H2,1-2H3,(H,20,27)
InChIKeyNIYXJPFESUKAAA-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.86
Rot. Bonds5

About 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide

3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42653534) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42653534
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc(C)n2ncc(-c3noc(C(=O)NCC(O)c4ccccc4)n3)c2n1
InChIInChI=1S/C19H18N6O3/c1-11-8-12(2)25-17(22-11)14(9-21-25)16-23-19(28-24-16)18(27)20-10-15(26)13-6-4-3-5-7-13/h3-9,15,26H,10H2,1-2H3,(H,20,27)
InChIKeyNIYXJPFESUKAAA-UHFFFAOYSA-N
XLogP1.86
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41129917
N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569243
3-[4-(dimethylamino)phenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 29130336
3-[4-(dimethylamino)phenyl]-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42651150
[(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea
CID 95763187
2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119254491
3-(3-methyl-1-benzofuran-2-yl)-N-[(2S)-2-phenylpropyl]-1,2,4-oxadiazole-5-carboxamide
CID 95084791
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 110885459
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole
CID 71876216
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 112771643

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide (CID 42653534) is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide is Cc1cc(C)n2ncc(-c3noc(C(=O)NCC(O)c4ccccc4)n3)c2n1.
What is the InChIKey of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is NIYXJPFESUKAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-11-8-12(2)25-17(22-11)14(9-21-25)16-23-19(28-24-16)18(27)20-10-15(26)13-6-4-3-5-7-13/h3-9,15,26H,10H2,1-2H3,(H,20,27).
What are the key properties of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42653534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).