5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole

C16H13N5O — CID 177372562

IUPAC5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2c(C)nn3c(-c4ccccc4)ccnc23)no1
InChIInChI=1S/C16H13N5O/c1-10-14(15-18-11(2)22-20-15)16-17-9-8-13(21(16)19-10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyFYTKRHWUZSNWFH-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.06
Rot. Bonds2

About 5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole

5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole (PubChem CID 177372562) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole
PubChem CID177372562
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2c(C)nn3c(-c4ccccc4)ccnc23)no1
InChIInChI=1S/C16H13N5O/c1-10-14(15-18-11(2)22-20-15)16-17-9-8-13(21(16)19-10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyFYTKRHWUZSNWFH-UHFFFAOYSA-N
XLogP3.06
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

Zaleplon
CID 5719
(R)-Zinc-3573
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2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
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CU-CPT-8m
CID 15042086
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
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5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
N-hydroxy-7-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]octanamide
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5-[5-Amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821433
2-(Cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 900932
2-Methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 1474430

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole (CID 177372562) is 5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole is Cc1nc(-c2c(C)nn3c(-c4ccccc4)ccnc23)no1.
What is the InChIKey of 5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is FYTKRHWUZSNWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-10-14(15-18-11(2)22-20-15)16-17-9-8-13(21(16)19-10)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole?
5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 291.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 177372562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).