(10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

C22H18N2O — CID 2317737

IUPAC(10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESC1=C(c2ccc(-c3ccccc3)cc2)NN2COc3ccccc3[C@@H]12
InChIInChI=1S/C22H18N2O/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)20-14-21-19-8-4-5-9-22(19)25-15-24(21)23-20/h1-14,21,23H,15H2/t21-/m1/s1
InChIKeyHLSFQPNRCXQKTN-OAQYLSRUSA-N
MW326.40 g/mol
LogP4.61
Rot. Bonds2

About (10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

(10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 2317737) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is (10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name(10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID2317737
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name(10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESC1=C(c2ccc(-c3ccccc3)cc2)NN2COc3ccccc3[C@@H]12
InChIInChI=1S/C22H18N2O/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)20-14-21-19-8-4-5-9-22(19)25-15-24(21)23-20/h1-14,21,23H,15H2/t21-/m1/s1
InChIKeyHLSFQPNRCXQKTN-OAQYLSRUSA-N
XLogP4.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 53449506
(5R,10bS)-2-(4-chlorophenyl)-5-(2-methylpropyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 2018104
(10bR)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 698484
(5S,10bR)-2-(4-chlorophenyl)-5-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 2003965
1,3-benzodioxole;1,1'-biphenyl
CID 161120601
1-[(3R)-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]propan-1-one
CID 2146995
4-methyl-3-propan-2-yl-2,4-dihydro-1,3-benzoxazine
CID 12808442
3-ethyl-5-phenyl-2H-1,3-benzoxazole
CID 20650453
9-bromo-1'-methyl-2-phenylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 4290055
9-methoxy-2-phenylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
CID 4526624
3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole
CID 70407425
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364

Frequently Asked Questions

What is the IUPAC name of (10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of (10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (CID 2317737) is (10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for (10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for (10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is C1=C(c2ccc(-c3ccccc3)cc2)NN2COc3ccccc3[C@@H]12.
What is the InChIKey of (10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is HLSFQPNRCXQKTN-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H18N2O/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)20-14-21-19-8-4-5-9-22(19)25-15-24(21)23-20/h1-14,21,23H,15H2/t21-/m1/s1.
What are the key properties of (10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
(10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 326.40 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-2-(4-phenylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 2317737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).