2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]

C24H28N2O2 — CID 4669095

IUPAC2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]
SMILESCc1ccc(C)c(C2=NN3C(C2)c2ccccc2OC32CCOC(C)(C)C2)c1
InChIInChI=1S/C24H28N2O2/c1-16-9-10-17(2)19(13-16)20-14-21-18-7-5-6-8-22(18)28-24(26(21)25-20)11-12-27-23(3,4)15-24/h5-10,13,21H,11-12,14-15H2,1-4H3
InChIKeyVJRVLQLMFWKVHW-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.13
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]

2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane] (PubChem CID 4669095) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane].

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]
PubChem CID4669095
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]
SMILESCc1ccc(C)c(C2=NN3C(C2)c2ccccc2OC32CCOC(C)(C)C2)c1
InChIInChI=1S/C24H28N2O2/c1-16-9-10-17(2)19(13-16)20-14-21-18-7-5-6-8-22(18)28-24(26(21)25-20)11-12-27-23(3,4)15-24/h5-10,13,21H,11-12,14-15H2,1-4H3
InChIKeyVJRVLQLMFWKVHW-UHFFFAOYSA-N
XLogP5.13
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]?
The IUPAC name of 2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane] (CID 4669095) is 2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane].
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane] is Cc1ccc(C)c(C2=NN3C(C2)c2ccccc2OC32CCOC(C)(C)C2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]?
The InChIKey is VJRVLQLMFWKVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-16-9-10-17(2)19(13-16)20-14-21-18-7-5-6-8-22(18)28-24(26(21)25-20)11-12-27-23(3,4)15-24/h5-10,13,21H,11-12,14-15H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]?
2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane] has a molecular weight of 376.50 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2',2'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane] is sourced from PubChem (CID 4669095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).