3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole

C12H11N3O — CID 13409655

IUPAC3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole
SMILESCc1nc2c(C)nn(-c3ccccc3)c2o1
InChIInChI=1S/C12H11N3O/c1-8-11-12(16-9(2)13-11)15(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeySDUDWBWNUXUYPU-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.63
Rot. Bonds1

About 3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole

3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole (PubChem CID 13409655) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole.

Molecular Properties

Compound Name3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole
PubChem CID13409655
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole
SMILESCc1nc2c(C)nn(-c3ccccc3)c2o1
InChIInChI=1S/C12H11N3O/c1-8-11-12(16-9(2)13-11)15(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeySDUDWBWNUXUYPU-UHFFFAOYSA-N
XLogP2.63
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-imino-3-methyl-1-phenylpyrazolo[5,4-b][1,4]oxazine-5-carbonitrile
CID 15877427
3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one
CID 13007928
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
CID 14067721
3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 86154193
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile
CID 15647581
1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol
CID 135070489
3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline
CID 15882579
4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one
CID 102170831
ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine
CID 145011169

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole?
The IUPAC name of 3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole (CID 13409655) is 3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole.
What is the SMILES notation for 3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole?
The canonical SMILES for 3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole is Cc1nc2c(C)nn(-c3ccccc3)c2o1.
What is the InChIKey of 3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole?
The InChIKey is SDUDWBWNUXUYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-8-11-12(16-9(2)13-11)15(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole?
3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole has a molecular weight of 213.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole is sourced from PubChem (CID 13409655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).