3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one

C17H13N3O2 — CID 13007928

IUPAC3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one
SMILESCc1nn(-c2ccccc2)c2oc(=O)n(-c3ccccc3)c12
InChIInChI=1S/C17H13N3O2/c1-12-15-16(20(18-12)14-10-6-3-7-11-14)22-17(21)19(15)13-8-4-2-5-9-13/h2-11H,1H3
InChIKeyHAILKCIGKALBMT-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.08
Rot. Bonds2

About 3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one

3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one (PubChem CID 13007928) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one.

Molecular Properties

Compound Name3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one
PubChem CID13007928
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one
SMILESCc1nn(-c2ccccc2)c2oc(=O)n(-c3ccccc3)c12
InChIInChI=1S/C17H13N3O2/c1-12-15-16(20(18-12)14-10-6-3-7-11-14)22-17(21)19(15)13-8-4-2-5-9-13/h2-11H,1H3
InChIKeyHAILKCIGKALBMT-UHFFFAOYSA-N
XLogP3.08
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one
CID 102170831
3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole
CID 13409655
4-methyl-3,5-diphenyl-1,3-oxazol-2-one
CID 134935741
6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one
CID 10383537
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
5-methyl-7-phenyl-3,4-dihydrooxathiino[5,6-d]pyrazole 2,2-dioxide
CID 155511849
5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione
CID 13219285
3,5-dimethyl-1-phenyl-4-[(S)-phenylsulfinyl]pyrazole
CID 11860311
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate
CID 10851602
5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile
CID 15647581
3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
CID 645041

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one?
The IUPAC name of 3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one (CID 13007928) is 3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one.
What is the SMILES notation for 3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one?
The canonical SMILES for 3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one is Cc1nn(-c2ccccc2)c2oc(=O)n(-c3ccccc3)c12.
What is the InChIKey of 3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one?
The InChIKey is HAILKCIGKALBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-12-15-16(20(18-12)14-10-6-3-7-11-14)22-17(21)19(15)13-8-4-2-5-9-13/h2-11H,1H3.
What are the key properties of 3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one?
3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one has a molecular weight of 291.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one is sourced from PubChem (CID 13007928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).