5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C27H22N2O2 — CID 3131194

IUPAC5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccccc1C1Oc2ccccc2C2CC(c3ccc4ccccc4c3)=NN21
InChIInChI=1S/C27H22N2O2/c1-30-25-12-6-5-11-22(25)27-29-24(21-10-4-7-13-26(21)31-27)17-23(28-29)20-15-14-18-8-2-3-9-19(18)16-20/h2-16,24,27H,17H2,1H3
InChIKeyUMBVRXMFNZZUDG-UHFFFAOYSA-N
MW406.49 g/mol
LogP6.09
Rot. Bonds3

About 5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 3131194) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID3131194
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Name5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccccc1C1Oc2ccccc2C2CC(c3ccc4ccccc4c3)=NN21
InChIInChI=1S/C27H22N2O2/c1-30-25-12-6-5-11-22(25)27-29-24(21-10-4-7-13-26(21)31-27)17-23(28-29)20-15-14-18-8-2-3-9-19(18)16-20/h2-16,24,27H,17H2,1H3
InChIKeyUMBVRXMFNZZUDG-UHFFFAOYSA-N
XLogP6.09
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 3131194) is 5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is COc1ccccc1C1Oc2ccccc2C2CC(c3ccc4ccccc4c3)=NN21.
What is the InChIKey of 5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is UMBVRXMFNZZUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c1-30-25-12-6-5-11-22(25)27-29-24(21-10-4-7-13-26(21)31-27)17-23(28-29)20-15-14-18-8-2-3-9-19(18)16-20/h2-16,24,27H,17H2,1H3.
What are the key properties of 5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 406.49 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 3131194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).